SCHEMBL8637642

SCHEMBL8637642

O=S(=O)(Nn1nc(C(F)(F)F)c(F)c1-c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.46
PTGS2 P35354 5/20 0.46
KDM1A O60341 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8689478 0.92 PTGS2 (0.53) PTGS1PTGS2MAPTALDH1A1
SCHEMBL8204244 0.89 PTGS1 (0.51) PTGS1PTGS2KDM1ALMNANPSR1
SCHEMBL8640282 0.87 PTGS1 (0.53) PTGS1PTGS2KDM1ALMNANPSR1
SCHEMBL8689002 0.84 PTGS1 (0.55) PTGS1PTGS2ALDH1A1HTTSMN1; SMN2
Benzenesulfonamide SCHEMBL7051156 0.84 PTGS2 (0.60) PTGS1PTGS2
SCHEMBL8423988 0.84 PTGES (0.43) KDM1ALMNANPSR1MAPTALDH1A1
SCHEMBL8421861 0.81 PTGES (0.41) PTGS1PTGS2KDM1ALMNANPSR1
SCHEMBL6520729 0.81 PTGS2 (0.42) PTGS1PTGS2LMNAMAPTALDH1A1
SCHEMBL8639075 0.79 PTGS2 (0.41) PTGS1PTGS2LMNANPSR1MAPT
SCHEMBL8692558 0.78 PTGS2 (0.41) PTGS1PTGS2MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed