SCHEMBL9434813

SCHEMBL9434813

CC1=C(C(=O)O)C(c2ccccc2C#N)C(c2ccccn2)=C(C)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 4/20 0.41
CASP1 P29466 3/20 0.40
GSK3B P49841 1/20 0.36
CASP7 P55210 2/20 0.35
CACNA1C Q13936 1/20 0.35
CACNA1B Q00975 2/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.34
PIN1 Q13526 1/20 0.34
FFAR1 O14842 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33

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
SCHEMBL9433832 0.88 KDM4E (0.58) KDM4EHSD17B10CASP1CASP7CACNA1C
SCHEMBL9433813 0.85 KDM4E (0.43) KDM4EHSD17B10CASP1CASP7CACNA1B
SCHEMBL9433540 0.85 KDM4E (0.45) KDM4EHSD17B10CASP1CASP7CACNA1B
SCHEMBL9433568 0.84 KDM4E (0.44) KDM4EHSD17B10CASP1CASP7CACNA1B
SCHEMBL10642720 0.83 KDM4E (0.47) KDM4EHSD17B10CASP1GSK3BCASP7
SCHEMBL9434790 0.83 KDM4E (0.43) KDM4EHSD17B10CASP1CASP7CACNA1B
SCHEMBL9434846 0.83 ALDH1A1 (0.43) KDM4EHSD17B10CASP1CASP7CACNA1B
SCHEMBL9433578 0.81 MAPT (0.44) KDM4EHSD17B10CASP1CACNA1CCACNA1B
SCHEMBL9433749 0.81 KDM4E (0.47) KDM4EHSD17B10CASP1ALDH1A1GAA
SCHEMBL9434815 0.81 CACNA1C (0.44) KDM4EHSD17B10CASP1GSK3BCASP7

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