SCHEMBL8628103

SCHEMBL8628103

CC#Cn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(Cl)cc2Cl)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
PTGS1 P23219 2/20 0.39
HSD11B1 P28845 2/20 0.36
F10 P00742 10/20 0.36
PTGES2 Q9H7Z7 1/20 0.35
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
CA12 O43570 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
CA1 P00915 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL8630570 0.87 F10 (0.37) PTGS2PTGS1F10F2PRSS1
SCHEMBL8631265 0.85 PTGS2 (0.42) PTGS2PTGS1HSD11B1F10PTGES2
SCHEMBL8633155 0.84 PTGS2 (0.39) PTGS2PTGS1F10CA2CA9
SCHEMBL7778057 0.84 PTGS1 (0.51) PTGS2PTGS1CA2CA9CA12
SCHEMBL8631538 0.83 PTGS2 (0.37) PTGS2PTGS1F10F2PRSS1
SCHEMBL8630571 0.83 PTGS2 (0.45) PTGS2PTGS1HSD11B1F10PTGES2
SCHEMBL8634407 0.81 PTGS2 (0.39) PTGS2PTGS1HSD11B1F10PTGES2
SCHEMBL8630982 0.81 PTGS2 (0.37) PTGS2PTGS1F10CA2CA9
SCHEMBL8628678 0.81 PTGS2 (0.46) PTGS2PTGS1F10MAPK14
SCHEMBL8631997 0.80 PTGS2 (0.39) PTGS2PTGS1HSD11B1F10PTGES2

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed