SCHEMBL9434200

SCHEMBL9434200

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
HSD17B10 Q99714 2/20 0.58
CACNA1F O60840 1/20 0.58
CACNA1D Q01668 1/20 0.58
CACNA1S Q13698 1/20 0.58
CACNA1C Q13936 1/20 0.58
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
MAPT P10636 1/20 0.49
GLA P06280 2/20 0.48
GAA P10253 2/20 0.48
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ADORA3 P0DMS8 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
SCHEMBL9433379 0.91 KDM4E (0.46) KDM4EHSD17B10CACNA1FCACNA1DCACNA1S
SCHEMBL10432260 0.89 HSD17B10 (0.60) KDM4EHSD17B10CACNA1FCACNA1DCACNA1S
SCHEMBL9434538 0.88 KDM4E (0.61) KDM4EHSD17B10CACNA1FCACNA1DCACNA1S
SCHEMBL9434216 0.88 HSD17B10 (0.58) KDM4EHSD17B10CACNA1FCACNA1DCACNA1S
SCHEMBL9434198 0.88 HSD17B10 (0.58) KDM4EHSD17B10CACNA1FCACNA1DCACNA1S
SCHEMBL9433631 0.88 HSD17B10 (0.58) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL9433755 0.85 CACNA1F (0.60) KDM4EHSD17B10CACNA1FCACNA1DCACNA1S
SCHEMBL9434383 0.84 MAPT (0.64) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL9434343 0.84 KDM4E (0.64) KDM4EHSD17B10CACNA1FCACNA1DCACNA1S
SCHEMBL9434370 0.83 KDM4E (0.60) KDM4EHSD17B10CACNA1FCACNA1DCACNA1S

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