SCHEMBL8474169

SCHEMBL8474169

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.50
PTGS1 P23219 9/20 0.50
CA4 P22748 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
P2RX3 P56373 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL6169839 0.88 PTGS2 (0.54) PTGS2PTGS1CA4L3MBTL1CA2
SCHEMBL8478643 0.87 PTGS2 (0.53) PTGS2PTGS1CA4L3MBTL1CA2
SCHEMBL8475051 0.86 PTGS2 (0.47) PTGS2PTGS1CA4L3MBTL1CA2
SCHEMBL8477502 0.85 PTGS2 (0.51) PTGS2PTGS1CA4L3MBTL1CA2
SCHEMBL8478260 0.84 PTGS2 (0.50) PTGS2PTGS1CA4L3MBTL1CA2
SCHEMBL8473865 0.84 PTGS2 (0.50) PTGS2PTGS1CA4CA2CA9
SCHEMBL6170654 0.84 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8474199 0.84 PTGS2 (0.42) PTGS2PTGS1CA4CA2CA9
SCHEMBL8478784 0.83 PTGS2 (0.49) PTGS2PTGS1CA4CA2CA9
SCHEMBL8478743 0.83 PTGS2 (0.48) PTGS2PTGS1CA4L3MBTL1CA2

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