SCHEMBL8424032

SCHEMBL8424032

NS(=O)(=O)c1ccccc1-n1nc(-c2ccc(F)cc2F)cc1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.42
ALOX5AP P20292 4/20 0.41
FEN1 P39748 4/20 0.41
PTGS1 P23219 3/20 0.40
PTGES2 Q9H7Z7 1/20 0.39
FABP4 P15090 3/20 0.39
FABP3 P05413 1/20 0.39
PDPK1 O15530 1/20 0.39

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
SCHEMBL8422279 0.93 PTGS2 (0.43) PTGS2PTGS1FABP4FABP3PDPK1
SCHEMBL8420856 0.92 PTGS2 (0.42) PTGS2ALOX5APFEN1PTGS1PTGES2
SCHEMBL8420732 0.88 PTGS2 (0.51) PTGS2PTGS1PDPK1
SCHEMBL8422268 0.88 PTGS2 (0.51) PTGS2PTGS1PDPK1
SCHEMBL8421770 0.88 PTGS2 (0.43) PTGS2PTGS1PDPK1
SCHEMBL8421842 0.88 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8420716 0.88 PTGS2 (0.48) PTGS2PTGS1FABP3
SCHEMBL8424105 0.87 PTGS2 (0.43) PTGS2ALOX5APFEN1PTGS1PTGES2
SCHEMBL8420738 0.85 PTGS2 (0.46) PTGS2PTGS1PDPK1
SCHEMBL8422379 0.85 PTGS2 (0.47) PTGS2PTGS1PDPK1

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-5908852-A 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation G. D. SEARLE & CO. (US) 1999-06-01 US disclosed