SCHEMBL8560253

SCHEMBL8560253

NS(=O)(=O)c1ccccc1-c1nc(C(F)(F)F)oc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.37
F2 P00734 3/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
NR4A2 P43354 2/20 0.37
ELANE P08246 1/20 0.37
TRPV1 Q8NER1 3/20 0.36
USP1 O94782 1/20 0.36
USP19 O94966 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
MAOB P27338 2/20 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
SCHEMBL8561935 0.90 CA12 (0.38) F10F2PRSS1PRSS2PRSS3
SCHEMBL4405116 0.86 PTGS2 (0.44) F10TRPV1ALOX5APFEN1PTGS2
SCHEMBL8154449 0.85 PTGES2 (0.45) F10TRPV1ALOX5APFEN1CA12
SCHEMBL7501561 0.81 PTGS2 (0.54) CA12CA1CA2CA9PTGS2
SCHEMBL7502720 0.81 PTGS2 (0.54) CA12CA1CA2CA9PTGS2
SCHEMBL8556828 0.80 USP1 (0.39) F10NR4A2USP1USP19WDR48
SCHEMBL8154083 0.79 PTGS2 (0.42) CA12CA1CA2CA9PTGS2
SCHEMBL8589897 0.79 NR4A2 (0.40) F10F2PRSS1PRSS2PRSS3
SCHEMBL8555990 0.78 NR4A2 (0.62) F10NR4A2USP1USP19WDR48
SCHEMBL8555628 0.78 USP1 (0.57) TRPV1USP1USP19WDR48CA12

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