{"id":"W2960482792","doi":"10.1016/j.bmc.2019.07.020","title":"Identification and characterization of the first fragment hits for SETDB1 Tudor domain","year":2019,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"Cancer-related gene regulation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":15,"is_retracted":false,"has_abstract":false,"ca_institutions":"Princess Margaret Cancer Centre; Structural Genomics Consortium; University of Toronto","funders":"Eshelman Institute for Innovation, University of North Carolina at Chapel Hill; Janssen Pharmaceuticals; Natural Sciences and Engineering Research Council of Canada; Innovative Medicines Initiative; Novartis Pharma; Ontario Genomics Institute; Canada Foundation for Innovation; Ontario Ministry of Economic Development and Innovation; Wellcome Trust; Genome Canada; Boehringer Ingelheim; AbbVie; Merck; Bayer; Pfizer","keywords":"Chemistry; Chromatin; Histone; Small molecule; Acetylation; Histone methyltransferase; Biochemistry; DNA; Gene","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001454087,0.0004675575,0.0005351204,0.0006381825,0.0003977825,0.0003792688,0.0005562169,0.000443586,0.004577787],"category_scores_gemma":[0.0003307503,0.000168316,0.0006717668,0.0008168793,0.0001732356,0.0002688819,0.0003705492,0.0006038377,0.001280556],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005695623,"about_ca_system_score_gemma":0.0005016637,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002380861,"about_ca_topic_score_gemma":0.002841283,"domain_scores_codex":[0.9998608,0.00001003948,0.00001139857,0.00002757429,0.0000526588,0.00003749363],"domain_scores_gemma":[0.9998831,0.00001570859,0.00002492112,0.00001076993,0.0000280002,0.00003756171],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.000416123,0.0000555649,0.001808309,0.0001449604,0.00004252523,0.0005886471,0.00005380642,0.000174211,0.9913454,0.0002436778,0.0004567548,0.004670069],"study_design_scores_gemma":[0.00006088541,0.000401597,0.02879927,0.0000261251,0.0001546052,0.002777739,0.0001707805,0.001881922,0.9508442,0.0001561742,0.0146923,0.00003447576],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9745575,0.003740393,0.01004059,0.0002576275,0.00006018755,0.0001616741,0.007566015,0.0001773529,0.003438557],"genre_scores_gemma":[0.9406822,0.001731807,0.01797659,0.0002402253,0.00002280101,0.0001228307,0.03051476,0.00006968397,0.008639156],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004577787,"threshold_uncertainty_score":0.01531422,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003532232391778017,"score_gpt":0.2029898833065339,"score_spread":0.1994576509147559,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}