SCHEMBL11153270

SCHEMBL11153270

CCC(=O)Nc1cccc(N(CC)CCC#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ NR4A1 P22736 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 5/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11401277 0.90 ALDH1A1 (0.47) POLBRAB9AKMT2AALDH1A1MEN1
SCHEMBL28587063 0.90 POLB (0.47) POLBNR4A1RAB9AKMT2AALDH1A1
SCHEMBL11073915 0.89 ALDH1A1 (0.49) POLBNR4A1RAB9AKMT2AALDH1A1
SCHEMBL11044621 0.87 POLB (0.44) POLBNR4A1RAB9AKMT2AALDH1A1
SCHEMBL28586700 0.85 POLB (0.45) POLBNR4A1RAB9AKMT2AALDH1A1
SCHEMBL30400187 0.85 RAB9A (0.61) POLBNR4A1RAB9AKMT2AALDH1A1
SCHEMBL9408526 0.85 RAB9A (0.61) POLBNR4A1RAB9AKMT2AALDH1A1
SCHEMBL11319993 0.84 SMN1; SMN2 (0.58) POLBRAB9AKMT2AALDH1A1MEN1
SCHEMBL11759949 0.84 KCNK3 (0.50) POLBRAB9AKMT2AALDH1A1MEN1
SCHEMBL11523483 0.84 POLB (0.54) POLBNR4A1RAB9AKMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4395368-A RED POLYESTER DYE EASTMAN KODAK COMPANY (US) 1983-07-26 — — US disclosed
US-4189427-A Azo dyestuffs from benzene diazo component fused to an aliphatic ring and containing two cyano substituents ortho to the azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 — — US disclosed
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