SCHEMBL8560331

SCHEMBL8560331

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.67
PTGS1 P23219 6/20 0.67
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
ALOX5 P09917 1/20 0.40

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
Methane SCHEMBL6308645 0.91 PTGS2 (0.57) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8555079 0.90 PTGS2 (0.65) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL5694182 0.90 PTGS2 (0.56) PTGS2PTGS1CA9KMT2AMAPK13
SCHEMBL7556388 0.89 PTGS2 (0.64) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8559927 0.85 PTGS2 (0.49) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8560092 0.84 USP1 (0.57) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8558731 0.82 PTGS2 (0.47) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8556142 0.82 PTGS2 (0.46) PTGS2PTGS1USP1USP19UCHL3
Methane SCHEMBL6314765 0.82 PTGS2 (0.48) PTGS2PTGS1KMT2AMAPK13MAPK12
SCHEMBL8558824 0.81 PTGS2 (0.45) 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