SCHEMBL7524920

SCHEMBL7524920

CCOC(=O)C1=C(CSCC=O)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.73
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
MAPT P10636 3/20 0.73
CYP1A2 P05177 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2C9 P11712 2/20 0.73
CYP2C19 P33261 2/20 0.73
LMNA P02545 1/20 0.73
POLB P06746 1/20 0.73
MAPK1 P28482 1/20 0.73
GPR55 Q9Y2T6 1/20 0.73
CYP2D6 P10635 1/20 0.73
TSHR P16473 1/20 0.73
NFKB1 P19838 1/20 0.73
THPO P40225 1/20 0.73
CACNA1F O60840 10/20 0.67
CACNA1D Q01668 10/20 0.67
CACNA1S Q13698 10/20 0.67
CACNA1C Q13936 10/20 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
SCHEMBL9874854 0.90 HIF1A (0.71) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL29661098 0.89 HIF1A (0.75) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL7421575 0.89 HIF1A (0.75) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL7285057 0.89 HIF1A (0.75) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9501762 0.89 HIF1A (0.80) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL7265524 0.89 HIF1A (0.69) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9872596 0.89 HIF1A (0.69) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL30357951 0.89 HIF1A (0.69) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL7470748 0.88 HIF1A (0.73) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL7471775 0.88 HIF1A (0.73) HIF1AMEN1KMT2AMAPTCYP1A2

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 5 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 claimed
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
EP-0233228-A1 PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1987-08-26 EP disclosed
WO-1987000836-A1 PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1987-02-12 WO disclosed