SCHEMBL8632244

SCHEMBL8632244

CC=Cn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(OC)c(F)c2)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.45
PTGS1 P23219 8/20 0.45
KDM1A O60341 4/20 0.37
KCNH2 Q12809 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
F10 P00742 2/20 0.36
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SCN9A Q15858 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL8635032 0.88 PTGS2 (0.47) PTGS2PTGS1F10ABCB11ALDH1A1
SCHEMBL7773227 0.86 PTGS2 (0.49) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8627808 0.85 PTGS2 (0.45) PTGS2PTGS1L3MBTL1F10ABCB11
SCHEMBL8631765 0.85 PTGS2 (0.45) PTGS2PTGS1F10ABCB11ALDH1A1
SCHEMBL8628872 0.84 PTGS2 (0.47) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8635602 0.84 PTGS2 (0.46) PTGS2PTGS1KDM1AKCNH2L3MBTL1
SCHEMBL8632817 0.84 PTGS2 (0.44) PTGS2PTGS1F10ABCB11ALDH1A1
SCHEMBL8629948 0.83 PTGS2 (0.45) PTGS2PTGS1KDM1AKCNH2L3MBTL1
SCHEMBL8627619 0.82 F10 (0.37) PTGS2F10
SCHEMBL8634520 0.82 PTGS2 (0.44) PTGS2PTGS1KDM1AKCNH2F10

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