SCHEMBL19404612

SCHEMBL19404612

Cc1cc(N(C)C=O)c(N(C)C)cc1N1C(=O)c2cccc3c(C#CC(C)(C)O)ccc(c23)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD1 O95696 15/20 0.39
▸ BRPF1 P55201 15/20 0.39
▸ TAF1 P21675 14/20 0.39
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ USP2 O75604 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ HBB P68871 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ BRCA1 P38398 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ BRD4 O60885 3/20 0.38
▸ TAF1L Q8IZX4 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ CECR2 Q9BXF3 1/20 0.38

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
SCHEMBL19404607 0.87 BRD1 (0.45) BRD1BRPF1TAF1MEN1KMT2A
SCHEMBL19404611 0.80 BRD1 (0.63) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404610 0.76 BRD1 (0.46) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404621 0.75 BRD1 (0.52) BRD1BRPF1TAF1MEN1KMT2A
SCHEMBL19404816 0.74 BRD1 (0.61) BRD1BRPF1TAF1MEN1KMT2A
SCHEMBL19405034 0.72 BRD1 (0.67) BRD1BRPF1TAF1MEN1KMT2A
SCHEMBL19404474 0.72 MEN1 (0.47) BRD1BRPF1TAF1MEN1KMT2A
SCHEMBL14918648 0.67 TYMS (0.47) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL19404606 0.66 BRD1 (0.66) BRD1BRPF1TAF1BRD4TAF1L
SCHEMBL19404856 0.65 BRD1 (0.63) 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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