SCHEMBL19405053

SCHEMBL19405053

Cn1c(=O)n(C)c2cc(N3C(=O)c4cccc5c(CCC6CCCC6)ccc(c45)C3=O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD1 O95696 17/20 0.55
▸ TAF1 P21675 16/20 0.51
▸ BRPF1 P55201 16/20 0.51
▸ TAF1L Q8IZX4 1/20 0.51
▸ CREBBP Q92793 1/20 0.51
▸ CECR2 Q9BXF3 1/20 0.51
▸ BRPF3 Q9ULD4 1/20 0.51
▸ BRD4 O60885 3/20 0.45
▸ CYP1B1 Q16678 2/20 0.39

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
SCHEMBL19404850 0.86 BRD1 (0.70) BRD1TAF1BRPF1TAF1LCREBBP
SCHEMBL19405052 0.85 TAF1 (0.61) BRD1TAF1BRPF1TAF1LCREBBP
SCHEMBL19404626 0.82 BRD1 (0.73) BRD1TAF1BRPF1TAF1LCREBBP
SCHEMBL19405050 0.77 BRD1 (0.55) BRD1TAF1BRPF1TAF1LCREBBP
SCHEMBL19404622 0.77 BRD1 (0.73) BRD1TAF1BRPF1BRD4
SCHEMBL19404433 0.76 BRD1 (0.69) BRD1TAF1BRPF1TAF1LCREBBP
SCHEMBL19405011 0.76 BRD1 (0.69) BRD1TAF1BRPF1TAF1LCREBBP
SCHEMBL19404498 0.76 BRD1 (0.69) BRD1TAF1BRPF1TAF1LCREBBP
SCHEMBL19404448 0.76 BRD1 (0.74) BRD1TAF1BRPF1BRD4
SCHEMBL19404604 0.75 BRD1 (0.58) BRD1TAF1BRPF1TAF1LCREBBP

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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