SCHEMBL9434815

SCHEMBL9434815

CC1=C(C(=O)O)C(c2ccccc2C#N)C(c2cccnc2)=C(C)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 2/20 0.44
CACNA1B Q00975 1/20 0.41
XDH P47989 1/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 5/20 0.39
GLA P06280 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP1 P29466 2/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
BRAF P15056 1/20 0.38
GAA P10253 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL9433816 0.89 CACNA1C (0.46) CACNA1CCACNA1BMAPTKMT2ALMNA
SCHEMBL9433824 0.86 CACNA1B (0.43) CACNA1CCACNA1BMAPTKMT2AMEN1
SCHEMBL9433545 0.85 CACNA1B (0.44) CACNA1CCACNA1BMAPTLMNAKDM4E
SCHEMBL9433577 0.84 PKM (0.47) CACNA1CCACNA1BKDM4EBRAF
SCHEMBL9434792 0.84 CACNA1B (0.43) CACNA1CCACNA1BMAPTALDH1A1GAA
SCHEMBL9434851 0.84 KDM4E (0.44) CACNA1CCACNA1BKDM4EALDH1A1NPC1
SCHEMBL9433588 0.82 MAPT (0.42) CACNA1CCACNA1BMAPTKMT2AMEN1
SCHEMBL9433754 0.82 GAA (0.44) CACNA1BMAPTKMT2AMEN1LMNA
SCHEMBL10642720 0.81 KDM4E (0.47) CACNA1CCACNA1BMAPTKMT2ALMNA
SCHEMBL9434813 0.81 KDM4E (0.41) CACNA1CCACNA1BMAPTKMT2AMEN1

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