SCHEMBL9539485

SCHEMBL9539485

CC(=NO)c1ccc(NS(C)(=O)=O)c(Sc2ccc(F)cc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.52
PTGS1 P23219 3/20 0.52
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PLA2G7 Q13093 1/20 0.35
NEU3 Q9UQ49 1/20 0.34
LMNA P02545 1/20 0.34
USP10 Q14694 1/20 0.33
USP7 Q93009 1/20 0.33
USP47 Q96K76 1/20 0.33

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
SCHEMBL9536982 0.88 PTGS2 (0.49) PTGS2PTGS1POLBALDH1A1MEN1
SCHEMBL9536499 0.88 PTGS2 (0.49) PTGS2PTGS1POLBALDH1A1MEN1
SCHEMBL9536230 0.87 PTGS2 (0.55) PTGS2PTGS1POLBALDH1A1MAPT
SCHEMBL9538909 0.85 PTGS2 (0.53) PTGS2PTGS1POLBALDH1A1MEN1
SCHEMBL9537417 0.85 PTGS2 (0.55) PTGS2PTGS1ALDH1A1PLA2G7NEU3
SCHEMBL9536928 0.84 PTGS2 (0.54) PTGS2PTGS1POLBPLA2G7NEU3
SCHEMBL9537146 0.83 PTGS2 (0.53) PTGS2PTGS1POLBALDH1A1PLA2G7
SCHEMBL9534858 0.82 PTGS2 (0.52) PTGS2PTGS1POLBKMT2APLA2G7
SCHEMBL9536305 0.82 PTGS2 (0.52) PTGS2PTGS1POLBMEN1KMT2A
SCHEMBL9537336 0.81 PTGS2 (0.51) PTGS2PTGS1POLBALDH1A1PLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292979-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0292979-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-30 EP disclosed