SCHEMBL8628872

SCHEMBL8628872

CC=Cn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(OC)c(F)c2)c1CO

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.47
PTGS1 P23219 6/20 0.47
F10 P00742 10/20 0.40
F2 P00734 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL8634846 0.88 PTGS2 (0.41) PTGS2PTGS1F10F2
SCHEMBL8635032 0.88 PTGS2 (0.47) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL7780046 0.86 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8627808 0.85 PTGS2 (0.45) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8631765 0.85 PTGS2 (0.45) PTGS2PTGS1F10F2
SCHEMBL8634273 0.85 PTGS2 (0.49) PTGS2PTGS1F10F2ALOX5AP
SCHEMBL8632244 0.84 PTGS2 (0.45) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8632817 0.84 PTGS2 (0.44) PTGS2PTGS1F10F2ALOX5AP
SCHEMBL8632912 0.83 PTGS2 (0.47) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8634446 0.82 F10 (0.41) F10F2

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