SCHEMBL19405044

SCHEMBL19405044

CCCCCCCc1ccc2c3c(cccc13)C(=O)N(c1cc3c(cc1C)n(C)c(=O)n3C)C2=O

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD1 O95696 20/20 0.82
▸ BRPF1 P55201 20/20 0.82
▸ TAF1 P21675 19/20 0.82
▸ TAF1L Q8IZX4 1/20 0.80
▸ CREBBP Q92793 1/20 0.80
▸ CECR2 Q9BXF3 1/20 0.80
▸ BRPF3 Q9ULD4 1/20 0.80
▸ BRD4 O60885 3/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19404614 0.90 BRD1 (1.00) BRD1BRPF1TAF1TAF1LCREBBP
SCHEMBL29430386 0.89 BRD1 (1.00) BRD1BRPF1TAF1TAF1LCREBBP
SCHEMBL19404632 0.89 BRD1 (1.00) BRD1BRPF1TAF1TAF1LCREBBP
SCHEMBL30737021 0.89 BRD1 (1.00) BRD1BRPF1TAF1TAF1LCREBBP
SCHEMBL19404631 0.87 BRD1 (0.79) BRD1BRPF1TAF1TAF1LCREBBP
SCHEMBL19405039 0.86 TAF1 (0.61) BRD1BRPF1TAF1TAF1LCREBBP
SCHEMBL23318540 0.85 BRD1 (0.75) BRD1BRPF1TAF1TAF1LCREBBP
SCHEMBL19404849 0.83 BRD1 (0.75) BRD1BRPF1TAF1TAF1LCREBBP
SCHEMBL19405054 0.83 BRD1 (0.75) BRD1BRPF1TAF1TAF1LCREBBP
SCHEMBL19404850 0.82 BRD1 (0.70) BRD1BRPF1TAF1TAF1LCREBBP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017162661-A1 1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 — — WO disclosed
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