SCHEMBL9434792

SCHEMBL9434792

CC1=C(C(=O)O)C(c2ccccc2Br)C(c2cccnc2)=C(C)N1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.43
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CACNA1C Q13936 1/20 0.38
MKNK1 Q9BUB5 3/20 0.37
MKNK2 Q9HBH9 3/20 0.37
PKM P14618 1/20 0.36
KMO O15229 1/20 0.36
ALK Q9UM73 1/20 0.36
GPR35 Q9HC97 2/20 0.35
F12 P00748 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL9433545 0.88 CACNA1B (0.44) CACNA1BALDH1A1GAACACNA1CMKNK1
SCHEMBL9433574 0.88 KDM4E (0.47) CACNA1BALDH1A1GAACACNA1CMAPT
SCHEMBL9433577 0.87 PKM (0.47) CACNA1BCACNA1CPKM
SCHEMBL9434851 0.86 KDM4E (0.44) CACNA1BALDH1A1CACNA1CMKNK1MKNK2
SCHEMBL9433824 0.86 CACNA1B (0.43) CACNA1BALDH1A1GAACACNA1CMKNK1
SCHEMBL9433588 0.84 MAPT (0.42) CACNA1BALDH1A1GAACACNA1CKMO
SCHEMBL9433754 0.84 GAA (0.44) CACNA1BALDH1A1GAAMKNK1MKNK2
SCHEMBL9434815 0.84 CACNA1C (0.44) CACNA1BALDH1A1GAACACNA1CMAPT
SCHEMBL9433919 0.83 CACNA1B (0.44) CACNA1BALDH1A1GAAMKNK1MKNK2
SCHEMBL9434014 0.82 KDM4E (0.45) CACNA1BALDH1A1GAAMKNK1MKNK2

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