SCHEMBL8556142

SCHEMBL8556142

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.46
PTGS1 P23219 4/20 0.46
USP1 O94782 1/20 0.41
USP19 O94966 1/20 0.41
UCHL3 P15374 1/20 0.41
NR4A2 P43354 6/20 0.40
TRPV1 Q8NER1 1/20 0.40
RXRA P19793 5/20 0.39
RXRB P28702 4/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
RXRG P48443 2/20 0.39
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL8558402 0.91 PTGS2 (0.44) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8547540 0.90 NR4A2 (0.49) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL8558731 0.86 PTGS2 (0.47) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8561129 0.86 PTGS2 (0.44) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL6308687 0.86 NR4A2 (0.44) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8558075 0.85 PTGS2 (0.43) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL6860700 0.85 PTGS1 (0.41) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL6308385 0.84 PTGS1 (0.41) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8560970 0.84 PTGS1 (0.43) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8558542 0.84 PTGS2 (0.43) 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