SCHEMBL8631745

SCHEMBL8631745

CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(OC)c(F)c2)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.41
PPARA Q07869 1/20 0.41
SCN9A Q15858 6/20 0.41
PTGS1 P23219 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR6 P50406 1/20 0.39
PI4KB Q9UBF8 2/20 0.39
ERAP1 Q9NZ08 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
SCHEMBL8629095 0.93 MAPT (0.39) PTGS2PPARASCN9APTGS1SMN1; SMN2
SCHEMBL8630562 0.91 CCR4 (0.42) PTGS2PPARAPTGS1PI4KB
SCHEMBL8629955 0.91 MAPT (0.46) PTGS2PPARASCN9APTGS1SMN1; SMN2
SCHEMBL8631761 0.89 PTGS2 (0.44) PTGS2PPARAPTGS1HTR6PI4KB
SCHEMBL8631722 0.89 PPARA (0.41) PTGS2PPARASCN9APTGS1HTR6
SCHEMBL8629013 0.89 PPARA (0.39) PTGS2PPARASCN9APTGS1MAPT
SCHEMBL8630945 0.89 PPARA (0.39) PTGS2PPARAPTGS1HTR6PI4KB
SCHEMBL8635104 0.89 PPARA (0.39) PTGS2PPARASCN9APTGS1MEN1
SCHEMBL8629750 0.88 MAPT (0.46) PTGS2SCN9APTGS1SMN1; SMN2MEN1
SCHEMBL8630468 0.88 SMN1; SMN2 (0.50) PTGS2PTGS1SMN1; SMN2MEN1MAPT

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