SCHEMBL9434169

SCHEMBL9434169

CC1=C(C(=O)O)C(c2c(Cl)cccc2Cl)C(c2cccnc2)=C(C)N1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.41
KMO O15229 1/20 0.39
MKNK1 Q9BUB5 4/20 0.38
MKNK2 Q9HBH9 4/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
GPR35 Q9HC97 2/20 0.36

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
SCHEMBL9434014 0.88 KDM4E (0.45) CACNA1BKMOMKNK1MKNK2KDM4E
SCHEMBL9434688 0.88 KDM4E (0.47) KDM4ELMNAHTTGAASMN1; SMN2
SCHEMBL9434851 0.87 KDM4E (0.44) CACNA1BMKNK1MKNK2KDM4EIRAK4
SCHEMBL9434417 0.84 MAPT (0.45) CACNA1BMKNK1MKNK2KDM4EHTT
SCHEMBL9434642 0.83 CACNA1B (0.52) CACNA1B
SCHEMBL9434087 0.83 CACNA1B (0.43) CACNA1BKMOMKNK1MKNK2KDM4E
SCHEMBL9434755 0.81 CACNA1B (0.45) CACNA1BKMOMKNK1MKNK2KDM4E
SCHEMBL9433669 0.81 ALDH1A1 (0.47) CACNA1BKMOKDM4ELMNAHTT
SCHEMBL9433545 0.80 CACNA1B (0.44) CACNA1BKMOMKNK1MKNK2KDM4E
SCHEMBL10432705 0.80 CACNA1B (0.44) CACNA1BKMOMKNK1MKNK2KDM4E

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