SCHEMBL7237315

SCHEMBL7237315

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(CBr)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 19/20 0.53
FEN1 P39748 18/20 0.53
PTGES2 Q9H7Z7 1/20 0.44

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
SCHEMBL9118640 0.85 ALOX5AP (0.58) ALOX5APFEN1
SCHEMBL7240388 0.82 ALOX5AP (0.57) ALOX5APFEN1PTGES2
SCHEMBL6763724 0.81 ALOX5AP (0.62) ALOX5APFEN1
SCHEMBL7125891 0.80 ALOX5AP (0.47) ALOX5APFEN1
SCHEMBL2280981 0.79 ALOX5AP (0.54) ALOX5APFEN1
SCHEMBL5885311 0.74 ALOX5AP (0.58) ALOX5APFEN1
SCHEMBL5173529 0.73 ALOX5AP (0.43) ALOX5APFEN1
SCHEMBL1795111 0.73 ALOX5AP (0.62) ALOX5APFEN1
SCHEMBL1968159 0.73 ALOX5AP (0.59) ALOX5APFEN1
SCHEMBL6769724 0.73 ALOX5AP (0.62) ALOX5APFEN1

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-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed