SCHEMBL19404603

SCHEMBL19404603

CCS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N(c1ccc3c(c1)n(C)c(=O)n3C)C2=O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD1 O95696 17/20 0.63
▸ BRPF1 P55201 16/20 0.47
▸ TAF1 P21675 16/20 0.47
▸ BRD4 O60885 3/20 0.45
▸ TAF1L Q8IZX4 1/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ CECR2 Q9BXF3 1/20 0.45
▸ BRPF3 Q9ULD4 1/20 0.45
▸ MEN1 O00255 2/20 0.42
▸ USP2 O75604 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KEAP1 Q14145 2/20 0.42
▸ NFE2L2 Q16236 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL19404818 0.86 BRD1 (0.60) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404604 0.85 BRD1 (0.58) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404433 0.81 BRD1 (0.69) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19405011 0.81 BRD1 (0.69) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404498 0.81 BRD1 (0.69) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404454 0.81 BRD1 (0.64) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404447 0.80 BRD1 (0.60) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404624 0.80 BRD1 (0.66) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404451 0.79 BRD1 (0.59) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404791 0.79 KDM4E (0.65) BRD1BRPF1TAF1BRD4TAF1L

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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