SCHEMBL8561129

SCHEMBL8561129

NS(=O)(=O)c1ccccc1-c1oc(Cc2ccccc2)nc1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.44
PTGS1 P23219 5/20 0.44
USP1 O94782 1/20 0.39
USP19 O94966 1/20 0.39
UCHL3 P15374 1/20 0.39
NR4A2 P43354 5/20 0.39
TRPV1 Q8NER1 1/20 0.39
RXRA P19793 4/20 0.38
RXRB P28702 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
RXRG P48443 1/20 0.38
SCN9A Q15858 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36

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
SCHEMBL8556768 0.92 NR4A2 (0.45) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL8559710 0.91 PTGS2 (0.42) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8555605 0.90 RXRA (0.44) PTGS2PTGS1NR4A2TRPV1RXRA
SCHEMBL8558075 0.90 PTGS2 (0.43) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8555226 0.89 RXRA (0.46) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL8560532 0.89 RXRA (0.46) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL8558542 0.88 PTGS2 (0.43) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8556529 0.88 RXRA (0.40) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL8557992 0.88 ALOX5AP (0.41) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL8559954 0.87 PTGS2 (0.41) PTGS2PTGS1USP1USP19UCHL3

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed