SCHEMBL8474199

SCHEMBL8474199

COc1ccc(-c2noc(SCc3ccsc3)c2-c2ccccc2S(N)(=O)=O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.42
PTGS1 P23219 8/20 0.42
CA4 P22748 1/20 0.38
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
P2RX3 P56373 1/20 0.33

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
SCHEMBL6170101 0.87 PTGS2 (0.50) PTGS2PTGS1CA2CA9CA12
SCHEMBL8474169 0.84 PTGS2 (0.50) PTGS2PTGS1CA4CA2CA9
SCHEMBL8474198 0.80 PTGS2 (0.41) PTGS2PTGS1CA1
SCHEMBL6169839 0.80 PTGS2 (0.54) PTGS2PTGS1CA4CA2CA9
SCHEMBL8475051 0.80 PTGS2 (0.47) PTGS2PTGS1CA4CA2CA9
SCHEMBL8477502 0.79 PTGS2 (0.51) PTGS2PTGS1CA4CA2CA9
SCHEMBL8478643 0.79 PTGS2 (0.53) PTGS2PTGS1CA4CA2CA9
SCHEMBL8473865 0.78 PTGS2 (0.50) PTGS2PTGS1CA4CA2CA9
SCHEMBL8480053 0.78 PTGS2 (0.47) PTGS2PTGS1CA4CA2CA9
SCHEMBL8478784 0.78 PTGS2 (0.49) PTGS2PTGS1CA4CA2CA9

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-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed