SCHEMBL9475672

SCHEMBL9475672

CSc1ccccc1C1C(C(=O)O)=C(C)NC(=S)N1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 8/20 0.44
CACNA1D Q01668 8/20 0.44
CACNA1S Q13698 8/20 0.44
CACNA1C Q13936 8/20 0.44
ALDH1A1 P00352 5/20 0.43
KIF11 P52732 2/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.31

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
SCHEMBL9475842 0.85 CACNA1F (0.47) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9474962 0.82 CACNA1F (0.63) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9476542 0.81 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9475421 0.81 ALDH1A1 (0.48) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7384493 0.80 CACNA1C (0.65) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9474870 0.80 CACNA1C (0.65) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9475571 0.79 CACNA1F (0.65) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9475008 0.79 CACNA1F (0.66) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9475264 0.76 POLB (0.53) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL10643799 0.74 CACNA1C (0.43) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1

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-5202330-A Hypotensive and cardiovascular agent, reduces blood pressure in mammals E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP disclosed