SCHEMBL8560604

SCHEMBL8560604

NS(=O)(=O)c1ccccc1-c1oc(COc2ccccn2)nc1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.41
PTGS1 P23219 5/20 0.40
PTGS2 P35354 5/20 0.40
ALOX5 P09917 2/20 0.38
TRPV1 Q8NER1 1/20 0.36
USP1 O94782 1/20 0.35
USP19 O94966 1/20 0.35
UCHL3 P15374 1/20 0.35
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
SCN9A Q15858 1/20 0.35
RXRA P19793 1/20 0.35
FABP1 P07148 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL8560970 0.87 PTGS1 (0.43) GRM5PTGS1PTGS2ALOX5TRPV1
SCHEMBL7502838 0.86 PTGS2 (0.55) GRM5PTGS1PTGS2ALOX5
SCHEMBL8558002 0.85 CA12 (0.43) PTGS1PTGS2ALOX5RXRA
SCHEMBL8559954 0.82 PTGS2 (0.41) PTGS1PTGS2ALOX5TRPV1USP1
SCHEMBL8558777 0.81 TDP1 (0.43) PTGS1PTGS2ALOX5TRPV1RXRA
SCHEMBL8556142 0.81 PTGS2 (0.46) PTGS1PTGS2TRPV1USP1USP19
SCHEMBL8555996 0.81 RXRA (0.43) PTGS1PTGS2ALOX5APFEN1RXRA
SCHEMBL7500629 0.80 PTGS2 (0.56) GRM5PTGS1PTGS2
SCHEMBL8558402 0.79 PTGS2 (0.44) PTGS1PTGS2TRPV1USP1USP19
SCHEMBL8561129 0.79 PTGS2 (0.44) PTGS1PTGS2TRPV1USP1USP19

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