SCHEMBL8555079

SCHEMBL8555079

Cc1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(F)cc2)o1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.65
PTGS1 P23219 9/20 0.65
USP1 O94782 1/20 0.43
USP19 O94966 1/20 0.43
UCHL3 P15374 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
CA9 Q16790 1/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
KMT2A Q03164 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41

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
SCHEMBL8560331 0.90 PTGS2 (0.67) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8554067 0.88 PTGS2 (0.50) PTGS2PTGS1CA9KMT2AMAPK13
SCHEMBL8555628 0.84 USP1 (0.57) PTGS2PTGS1USP1USP19UCHL3
Methane SCHEMBL6308645 0.82 PTGS2 (0.57) PTGS2PTGS1USP1USP19UCHL3
Methane SCHEMBL6307587 0.82 PTGS2 (0.48) PTGS2PTGS1KMT2AMAPK13MAPK12
SCHEMBL8559710 0.80 PTGS2 (0.42) PTGS2PTGS1USP1USP19UCHL3
Methane SCHEMBL6310488 0.80 PTGS2 (0.44) PTGS2PTGS1CA9KMT2AMAPK13
SCHEMBL7500813 0.79 PTGS2 (1.00) PTGS2PTGS1KMT2A
SCHEMBL7505580 0.79 PTGS2 (1.00) PTGS2PTGS1KMT2A
SCHEMBL5694182 0.79 PTGS2 (0.56) PTGS2PTGS1CA9KMT2AMAPK13

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