SCHEMBL19404605

SCHEMBL19404605

Cc1cc2[nH]c(=O)n(C)c2cc1N1C(=O)c2cccc3c(C#CCO)ccc(c23)C1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TAF1 P21675 19/20 0.49
▸ BRD1 O95696 19/20 0.49
▸ BRPF1 P55201 19/20 0.49
▸ TAF1L Q8IZX4 1/20 0.49
▸ CREBBP Q92793 1/20 0.49
▸ CECR2 Q9BXF3 1/20 0.49
▸ BRPF3 Q9ULD4 1/20 0.49
▸ BRD4 O60885 3/20 0.46

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
SCHEMBL19404610 0.87 BRD1 (0.46) TAF1BRD1BRPF1TAF1LCREBBP
SCHEMBL19404840 0.86 BRD1 (0.46) TAF1BRD1BRPF1TAF1LCREBBP
SCHEMBL19404469 0.86 TAF1 (0.57) TAF1BRD1BRPF1TAF1LCREBBP
SCHEMBL19404606 0.85 BRD1 (0.66) TAF1BRD1BRPF1TAF1LCREBBP
SCHEMBL19404629 0.81 TAF1 (0.75) TAF1BRD1BRPF1TAF1LCREBBP
SCHEMBL19404591 0.81 BRD1 (0.71) TAF1BRD1BRPF1TAF1LCREBBP
SCHEMBL19404528 0.81 BRD1 (0.71) TAF1BRD1BRPF1TAF1LCREBBP
SCHEMBL19404530 0.80 BRD1 (0.52) TAF1BRD1BRPF1TAF1LCREBBP
SCHEMBL19404531 0.79 BRD1 (0.66) TAF1BRD1BRPF1TAF1LCREBBP
SCHEMBL19404459 0.78 BRD1 (0.73) TAF1BRD1BRPF1BRD4

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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