SCHEMBL9433631

SCHEMBL9433631

COC(=O)C1=C(C)NC(C)=C(c2ccccn2)C1c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.58
KDM4E B2RXH2 3/20 0.58
CACNA1B Q00975 11/20 0.54
CASP1 P29466 2/20 0.46
CASP7 P55210 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9434370 0.92 KDM4E (0.60) HSD17B10KDM4ECACNA1BCASP1CASP7
SCHEMBL10432260 0.89 HSD17B10 (0.60) HSD17B10KDM4ECACNA1BCASP1CASP7
SCHEMBL9434728 0.88 KDM4E (0.61) HSD17B10KDM4ECASP1CASP7ADORA3
SCHEMBL9434633 0.88 CACNA1B (0.59) CACNA1B
SCHEMBL9434198 0.88 HSD17B10 (0.58) HSD17B10KDM4ECACNA1BCASP1CASP7
SCHEMBL9434200 0.88 KDM4E (0.58) HSD17B10KDM4ECASP1CASP7ADORA3
SCHEMBL9434216 0.88 HSD17B10 (0.58) HSD17B10KDM4ECACNA1BCASP1CASP7
SCHEMBL9433755 0.85 CACNA1F (0.60) HSD17B10KDM4ECACNA1BCASP1CASP7
SCHEMBL9434383 0.84 MAPT (0.64) ADORA3SMN1; SMN2
SCHEMBL9434702 0.84 KDM4E (0.61) HSD17B10KDM4ECACNA1BCASP1CASP7

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-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed