SCHEMBL8640282

SCHEMBL8640282

Cc1c(C(F)(F)F)nn(NS(=O)(=O)c2ccccc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.53
PTGS2 P35354 3/20 0.53
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM1A O60341 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL8692558 0.92 PTGS2 (0.41) PTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL8688419 0.91 MAPT (0.45) PTGS1PTGS2ALDH1A1HTTNPSR1
SCHEMBL8639075 0.90 PTGS2 (0.41) PTGS1PTGS2ALDH1A1LMNANPSR1
SCHEMBL8204244 0.88 PTGS1 (0.51) PTGS1PTGS2ALDH1A1HTTSMN1; SMN2
SCHEMBL8637642 0.87 PTGS1 (0.46) PTGS1PTGS2ALDH1A1HTTSMN1; SMN2
SCHEMBL8689103 0.87 LMNA (0.43) PTGS1PTGS2ALDH1A1HTTSMN1; SMN2
SCHEMBL8689002 0.86 PTGS1 (0.55) PTGS1PTGS2TP53ALDH1A1HTT
Benzenesulfonamide SCHEMBL7051156 0.84 PTGS2 (0.60) PTGS1PTGS2
SCHEMBL8424177 0.83 PTGES (0.43) TP53ALDH1A1SMN1; SMN2KDM1ALMNA
SCHEMBL8163016 0.81 PTGS2 (0.41) PTGS1PTGS2LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US claimed
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed
US-5510496-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed