SCHEMBL19404437

SCHEMBL19404437

CN(C)c1cc2[nH]c(=O)n(C)c2cc1N1C(=O)c2cccc3cc(C#N)cc(c23)C1=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD1 O95696 12/20 0.59
▸ BRPF1 P55201 11/20 0.59
▸ TAF1 P21675 11/20 0.59
▸ BRD4 O60885 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ USP2 O75604 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ FTO Q9C0B1 1/20 0.33

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
SCHEMBL19404421 0.88 BRD1 (0.69) BRD1BRPF1TAF1BRD4LMNA
SCHEMBL19404439 0.85 BRD1 (0.76) BRD1BRPF1TAF1BRD4
SCHEMBL19404588 0.83 BRD1 (0.59) BRD1BRPF1TAF1BRD4MEN1
SCHEMBL19404509 0.82 BRD1 (0.56) BRD1BRPF1TAF1BRD4LMNA
SCHEMBL19404590 0.78 TAF1 (0.57) BRD1BRPF1TAF1BRD4LMNA
SCHEMBL19404424 0.76 MEN1 (0.54) BRD1BRPF1TAF1BRD4LMNA
SCHEMBL19404513 0.74 BRD1 (1.00) BRD1BRPF1TAF1BRD4
SCHEMBL19404427 0.74 BRD1 (0.59) BRD1BRPF1TAF1BRD4LMNA
SCHEMBL19404495 0.73 BRD1 (0.70) BRD1BRPF1TAF1BRD4LMNA
SCHEMBL19404510 0.73 BRD1 (0.72) BRD1BRPF1TAF1BRD4LMNA

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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