SCHEMBL9869503

SCHEMBL9869503

CCN1C(=S)NC(C)=C(C(=O)O)C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

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 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.41
KIF11 P52732 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
FFAR1 O14842 2/20 0.38
TSHR P16473 1/20 0.36

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
SCHEMBL9871252 0.86 CACNA1F (0.47) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9869833 0.84 CACNA1F (0.42) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9871923 0.82 ALDH1A1 (0.54) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9870085 0.81 GUSB (0.44) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9871999 0.80 ALDH1A1 (0.47) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9869835 0.77 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9870764 0.76 POLB (0.45) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7485042 0.72 ALDH1A1 (0.39) ALDH1A1NPSR1LMNAMAPT
SCHEMBL7533651 0.71 MAPT (0.44) LMNAMAPT
SCHEMBL2451449 0.71 ABCC9 (0.53) ALDH1A1NPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071849-A Antiinflammatory, antianginal agent EGIS GYOGYSZERGYAR (HU) 1991-12-10 US disclosed