SCHEMBL9434370

SCHEMBL9434370

COC(=O)C1=C(C)NC(C)=C(c2ccccn2)C1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
HSD17B10 Q99714 3/20 0.60
CASP1 P29466 3/20 0.48
CASP7 P55210 1/20 0.48
GAA P10253 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADORA3 P0DMS8 1/20 0.45
CACNA1B Q00975 1/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CACNA1F O60840 2/20 0.43
CACNA1D Q01668 2/20 0.43
CACNA1S Q13698 2/20 0.43
CACNA1C Q13936 2/20 0.43
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL9433631 0.92 HSD17B10 (0.58) KDM4EHSD17B10CASP1CASP7GAA
SCHEMBL9434728 0.90 KDM4E (0.61) KDM4EHSD17B10CASP1CASP7GAA
SCHEMBL9434080 0.88 CACNA1B (0.48) KDM4EHSD17B10CASP1ALDH1A1SMN1; SMN2
SCHEMBL9434343 0.85 KDM4E (0.64) KDM4EHSD17B10CASP1CASP7GAA
SCHEMBL10432260 0.85 HSD17B10 (0.60) KDM4EHSD17B10CASP1CASP7GAA
SCHEMBL9434114 0.84 KDM4E (0.81) KDM4EHSD17B10CASP1CASP7GAA
SCHEMBL10432694 0.83 HSD17B10 (0.65) KDM4EHSD17B10CASP1CASP7GAA
SCHEMBL9434538 0.83 KDM4E (0.61) KDM4EHSD17B10CASP1CASP7GAA
SCHEMBL9433668 0.83 HSD17B10 (0.61) KDM4EHSD17B10CASP1CASP7GAA
SCHEMBL9434428 0.83 KDM4E (0.61) KDM4EHSD17B10CASP1CASP7GAA

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