SCHEMBL9808352

SCHEMBL9808352

CCOC(=O)C1=C(C)NC(CSCc2ccccc2)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 12/20 0.71
CACNA1F O60840 11/20 0.71
CACNA1D Q01668 11/20 0.71
CACNA1S Q13698 11/20 0.71
ADORA3 P0DMS8 2/20 0.71
PDE1C Q14123 1/20 0.68
MAPT P10636 4/20 0.67
HIF1A Q16665 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
CYP1A2 P05177 3/20 0.67
CYP3A4 P08684 3/20 0.67
CYP2C9 P11712 3/20 0.67
CYP2C19 P33261 3/20 0.67
LMNA P02545 2/20 0.67
CYP2D6 P10635 2/20 0.67
POLB P06746 1/20 0.67
MAPK1 P28482 1/20 0.67
GPR55 Q9Y2T6 1/20 0.67
TSHR P16473 1/20 0.67

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
SCHEMBL7316204 0.93 MAPT (0.71) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9875241 0.93 CACNA1F (0.69) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7470988 0.91 CACNA1F (0.77) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9808411 0.90 CACNA1F (0.65) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7315881 0.90 CACNA1F (0.76) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7290541 0.90 MAPT (0.73) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7315862 0.89 CACNA1F (0.74) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7462203 0.89 CACNA1F (0.74) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9808320 0.89 CACNA1F (0.74) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7311854 0.89 CACNA1F (0.68) CACNA1CCACNA1FCACNA1DCACNA1SADORA3

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-5021436-A Antiulcer, anticoagulant, antiischaemic agent BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1991-06-04 US disclosed
US-4999362-A Hypotensive, Antiulcer, Cytoprotective, Antithrombotic Agents BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-03-12 US disclosed