SCHEMBL9869833

SCHEMBL9869833

CC1=C(C(=O)O)C(c2ccc(Cl)c(Cl)c2)N(C)C(=S)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 4/20 0.42
CACNA1D Q01668 4/20 0.42
CACNA1S Q13698 4/20 0.42
CACNA1C Q13936 4/20 0.42
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.39
KIF11 P52732 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
CYP2D6 P10635 3/20 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
SCHEMBL9869659 0.85 CACNA1F (0.45) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9869503 0.84 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9870854 0.82 ALDH1A1 (0.43) CACNA1DALDH1A1NPSR1LMNAMAPT
SCHEMBL9870211 0.81 ALDH1A1 (0.53) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9871298 0.78 ATM (0.47) ALDH1A1LMNAMAPTATM
SCHEMBL9871983 0.78 TSHR (0.48) ALDH1A1NPSR1LMNAMAPT
SCHEMBL7485042 0.75 ALDH1A1 (0.39) ALDH1A1NPSR1LMNAMAPT
SCHEMBL9871899 0.75 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7533651 0.74 MAPT (0.44) LMNAMAPT
SCHEMBL2451449 0.74 ABCC9 (0.53) ALDH1A1NPSR1SLC6A2SLC6A4

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