SCHEMBL8636906

SCHEMBL8636906

COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(N)=O)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.67
KDM4E B2RXH2 4/20 0.65
THRB P10828 1/20 0.65
MAPT P10636 6/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 6/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
MEN1 O00255 3/20 0.62
ALDH1A1 P00352 3/20 0.62
PPARG P37231 1/20 0.62
NCOA3 Q9Y6Q9 1/20 0.62
CYP1A2 P05177 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
CYP2D6 P10635 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.56
KLK7 P49862 1/20 0.56

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
SCHEMBL8636910 1.00 CSNK2A1 (0.67) CSNK2A1KDM4ETHRBMAPTMAPK1
SCHEMBL10615644 0.79 RAB9A (0.72) CSNK2A1KDM4ETHRBMAPTMAPK1
SCHEMBL11758901 0.77 CYP1A2 (1.00) KDM4EMAPTKMT2AL3MBTL1MEN1
SCHEMBL11758893 0.77 CYP1A2 (1.00) KDM4EMAPTKMT2AL3MBTL1MEN1
SCHEMBL11758889 0.77 CYP1A2 (1.00) KDM4EMAPTKMT2AL3MBTL1MEN1
SCHEMBL2845939 0.76 MEN1 (0.82) KDM4EMAPK1KMT2AMEN1ALDH1A1
SCHEMBL10545367 0.76 ALDH1A1 (0.55) KDM4EMAPTMAPK1KMT2AMEN1
SCHEMBL10502477 0.76 MEN1 (0.67) KDM4ETHRBMAPTMAPK1KMT2A
SCHEMBL2845944 0.76 MEN1 (0.82) KDM4EMAPK1KMT2AMEN1ALDH1A1
SCHEMBL8604912 0.76 CYP1A2 (0.76) CSNK2A1KDM4EMAPTKMT2AMEN1

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
EP-0855387-A1 2-ACYLAMINOBENZAMIDE DERIVATIVES AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY THE SUPERMULTIPLICATION OF VASCULAR INTIMAL CELLS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed