SCHEMBL9434392

SCHEMBL9434392

CC1=C(C(=O)O)C(c2cccc(O)c2)C(c2cccnc2)=C(C)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.45
KMO O15229 1/20 0.40
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 7/20 0.40
GAA P10253 6/20 0.40
HPGD P15428 5/20 0.40
CASP1 P29466 3/20 0.40
CASP7 P55210 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 1/20 0.39
DHFR P00374 2/20 0.39
GLA P06280 2/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9433669 0.90 ALDH1A1 (0.47) CACNA1BKMOALDH1A1SMN1; SMN2NPSR1
SCHEMBL9434042 0.88 CACNA1B (0.48) CACNA1BKMOALDH1A1SMN1; SMN2NPSR1
SCHEMBL9434642 0.88 CACNA1B (0.52) CACNA1B
SCHEMBL9433827 0.88 CACNA1B (0.48) CACNA1BKMOALDH1A1SMN1; SMN2NPSR1
SCHEMBL10432705 0.87 CACNA1B (0.44) CACNA1BKMOALDH1A1SMN1; SMN2KDM4E
SCHEMBL9434106 0.87 CACNA1B (0.46) CACNA1BKMOALDH1A1SMN1; SMN2NPSR1
SCHEMBL9433385 0.86 CACNA1F (0.45) CACNA1BALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL9433980 0.84 CACNA1F (0.52) CACNA1BLMNAMAPTMAPK1MEN1
SCHEMBL9434755 0.84 CACNA1B (0.45) CACNA1BKMOALDH1A1SMN1; SMN2NPSR1
SCHEMBL7267531 0.83 KMO (0.52) CACNA1BKMOALDH1A1SMN1; SMN2NPSR1

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