SCHEMBL9434728

SCHEMBL9434728

COC(=O)C1=C(C)NC(C)=C(c2ccccn2)C1c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
HSD17B10 Q99714 4/20 0.61
CACNA1F O60840 2/20 0.54
CACNA1D Q01668 2/20 0.54
CACNA1S Q13698 2/20 0.54
CACNA1C Q13936 2/20 0.54
ABCC1 P33527 1/20 0.50
CASP1 P29466 2/20 0.48
CASP7 P55210 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
HPGD P15428 4/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 1/20 0.47
HTT P42858 2/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL9434343 0.91 KDM4E (0.64) KDM4EHSD17B10CACNA1FCACNA1DCACNA1S
SCHEMBL9434370 0.90 KDM4E (0.60) KDM4EHSD17B10CACNA1FCACNA1DCACNA1S
SCHEMBL10432694 0.89 HSD17B10 (0.65) KDM4EHSD17B10CACNA1FCACNA1DCACNA1S
SCHEMBL9434538 0.89 KDM4E (0.61) KDM4EHSD17B10CACNA1FCACNA1DCACNA1S
SCHEMBL9433668 0.89 HSD17B10 (0.61) KDM4EHSD17B10CACNA1FCACNA1DCACNA1S
SCHEMBL9433631 0.88 HSD17B10 (0.58) KDM4EHSD17B10CASP1CASP7ADORA3
SCHEMBL9434410 0.87 CACNA1B (0.45) KDM4EHSD17B10CACNA1FCACNA1DCACNA1S
SCHEMBL9434114 0.85 KDM4E (0.81) KDM4EHSD17B10CACNA1FCACNA1DCACNA1S
SCHEMBL9434702 0.84 KDM4E (0.61) KDM4EHSD17B10CACNA1FCACNA1DCACNA1S
SCHEMBL9434428 0.84 KDM4E (0.61) 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