SCHEMBL9433385

SCHEMBL9433385

COc1cccc(C2C(C(=O)O)=C(C)NC(C)=C2c2cccnc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
CACNA1B Q00975 2/20 0.45
NPY5R Q15761 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL10432716 0.91 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL9433821 0.88 ALDH1A1 (0.46) CACNA1DCACNA1BTP53IRAK4KDM4E
SCHEMBL9433669 0.87 ALDH1A1 (0.47) CACNA1BNPY5RABL1BCRMAPK1
SCHEMBL9434392 0.86 CACNA1B (0.45) CACNA1BTP53MAPK1MAPTKDM4E
SCHEMBL9434042 0.85 CACNA1B (0.48) CACNA1BMAPK1MAPTKDM4EALDH1A1
SCHEMBL9433827 0.85 CACNA1B (0.48) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL9434642 0.85 CACNA1B (0.52) CACNA1BNPY5R
SCHEMBL9434106 0.84 CACNA1B (0.46) CACNA1BABL1BCRMAPK1MAPT
SCHEMBL9434084 0.83 CACNA1B (0.61) CACNA1B
SCHEMBL10564440 0.82 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B

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