SCHEMBL7273476

SCHEMBL7273476

CC1=C(C#N)C(c2cccc(C#N)c2)C(C(=O)O)=C(C)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.53
CACNA1D Q01668 1/20 0.53
CACNA1S Q13698 1/20 0.53
CACNA1C Q13936 1/20 0.53
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
NOTCH1 P46531 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43

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
SCHEMBL6951184 0.92 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CNOTCH1
SCHEMBL7479725 0.87 POLB (0.47) CACNA1FCACNA1DCACNA1SCACNA1CPOLB
SCHEMBL7265857 0.86 CACNA1B (0.53) POLBLMNAGAACACNA1BNR3C2
SCHEMBL6137184 0.84 CACNA1C (0.64) CACNA1FCACNA1DCACNA1SCACNA1CPOLB
SCHEMBL7275834 0.84 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CPOLB
SCHEMBL7265637 0.84 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CPOLB
SCHEMBL7163595 0.84 CACNA1F (0.73) CACNA1FCACNA1DCACNA1SCACNA1CPOLB
SCHEMBL7265923 0.84 ALDH1A1 (0.58) CACNA1FCACNA1DCACNA1SCACNA1CPOLB
SCHEMBL7266695 0.83 CACNA1F (0.49) CACNA1FCACNA1DCACNA1SCACNA1CPOLB
SCHEMBL7267597 0.83 CACNA1F (0.49) CACNA1FCACNA1DCACNA1SCACNA1CPOLB

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-4920225-A Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1990-04-24 US disclosed
EP-0273349-A2 Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1988-07-06 EP disclosed