SCHEMBL8636709

SCHEMBL8636709

CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
HPGD P15428 5/20 0.71
KDM4E B2RXH2 5/20 0.71
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
TP53 P04637 2/20 0.71
CYP3A4 P08684 2/20 0.71
HIF1A Q16665 2/20 0.71
PKM P14618 2/20 0.71
NPSR1 Q6W5P4 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
HSD17B10 Q99714 1/20 0.71
ABCC4 O15439 1/20 0.71
HPGDS O60760 1/20 0.71
ABCB11 O95342 1/20 0.71

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
SCHEMBL8636716 1.00 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8639755 0.97 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8639760 0.97 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL2845939 0.92 MEN1 (0.82) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL2845944 0.92 MEN1 (0.82) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL13352266 0.91 MEN1 (0.83) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL24489122 0.90 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL29578565 0.90 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8640000 0.89 MEN1 (0.70) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8640013 0.89 MEN1 (0.70) ALDH1A1MEN1KMT2AHPGDKDM4E

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