SCHEMBL8631997

SCHEMBL8631997

N#CCn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(Cl)cc2Cl)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.39
PTGS1 P23219 3/20 0.39
F10 P00742 4/20 0.35
NOTUM Q6P988 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
HSD11B1 P28845 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
SLC22A12 Q96S37 2/20 0.32
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8630571 0.88 PTGS2 (0.45) PTGS2PTGS1F10PTGES2HSD11B1
SCHEMBL8631579 0.88 PTGS2 (0.42) PTGS2PTGS1F10MAPT
SCHEMBL8630356 0.87 MARS1 (0.40) PTGS2PTGS1F10PTGES2HSD11B1
SCHEMBL8631241 0.84 F10 (0.38) PTGS2PTGS1F10PTGES2HSD11B1
SCHEMBL7779843 0.84 PTGS2 (0.50) PTGS2PTGS1CA2CA9
SCHEMBL8627914 0.84 PTGS2 (0.38) PTGS2PTGS1F10PTGES2HSD11B1
SCHEMBL8629412 0.84 PTGS2 (0.38) PTGS2PTGS1F10CA1CA2
SCHEMBL8628841 0.83 PTGS2 (0.43) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8631265 0.82 PTGS2 (0.42) PTGS2PTGS1F10PTGES2HSD11B1
SCHEMBL8630861 0.81 PTGS2 (0.53) PTGS2PTGS1F10ALOX5APFEN1

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