SCHEMBL9869835

SCHEMBL9869835

CCN1C(=S)NC(C)=C(C(=O)O)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 15/20 0.68
CACNA1D Q01668 15/20 0.68
CACNA1S Q13698 15/20 0.68
CACNA1C Q13936 15/20 0.68
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
ADORA3 P0DMS8 1/20 0.52
GUSB P08236 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL10358318 0.88 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL10915740 0.87 CACNA1F (0.65) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9871899 0.86 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9476574 0.85 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL10358333 0.85 CACNA1F (0.63) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9475039 0.85 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7271893 0.84 CACNA1F (0.66) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL9871923 0.83 ALDH1A1 (0.54) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL10357463 0.82 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7272923 0.81 CACNA1F (0.78) 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 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