SCHEMBL19404611

SCHEMBL19404611

Cc1cc2c(cc1N1C(=O)c3cccc4c(C#CC(C)(C)O)ccc(c34)C1=O)n(C)c(=O)n2C

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD1 O95696 20/20 0.63
▸ BRPF1 P55201 20/20 0.63
▸ TAF1 P21675 19/20 0.63
▸ BRD4 O60885 3/20 0.60
▸ TAF1L Q8IZX4 1/20 0.59
▸ CREBBP Q92793 1/20 0.59
▸ CECR2 Q9BXF3 1/20 0.59
▸ BRPF3 Q9ULD4 1/20 0.59

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 0.86 BRD1 (0.46) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404606 0.86 BRD1 (0.66) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404856 0.84 BRD1 (0.63) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404531 0.83 BRD1 (0.66) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404841 0.82 BRD1 (0.62) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404529 0.81 BRD1 (0.63) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL25445904 0.81 BRD1 (0.80) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404842 0.80 BRD1 (0.61) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404612 0.80 BRD1 (0.39) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404849 0.78 BRD1 (0.75) 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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