SCHEMBL9534684

SCHEMBL9534684

CS(=O)(=O)Nc1ccc(C#N)cc1Nc1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.54
MAP2K1 Q02750 5/20 0.45
SOS1 Q07889 1/20 0.41
PARP14 Q460N5 1/20 0.41
PLA2G7 Q13093 1/20 0.40
TBXA2R P21731 3/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.39
KMT2A Q03164 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
SCHEMBL2005491 0.83 SLC22A12 (0.47) MAP2K1PARP14SLC22A12
SCHEMBL29467983 0.80 ACLY (0.52) MAP2K1PARP14SLC22A12
SCHEMBL10208423 0.80 ACLY (0.52) MAP2K1PARP14SLC22A12
SCHEMBL9655254 0.80 PTGS2 (0.58) PTGS2TBXA2RSLC22A12
SCHEMBL9535031 0.79 PTGS2 (0.55) PTGS2PARP14TBXA2RPTGES2SLC22A12
SCHEMBL9656863 0.79 PTGS2 (0.57) PTGS2TBXA2RSLC22A12
SCHEMBL9656869 0.79 PTGS2 (0.57) PTGS2TBXA2RSLC22A12KMT2A
SCHEMBL10626704 0.78 PTGS2 (0.56) PTGS2SOS1PLA2G7LMNAPTGS1
SCHEMBL9537258 0.77 TBXA2R (0.39) PTGS2PARP14PLA2G7TBXA2RPTGES2
SCHEMBL9535652 0.76 PTGS2 (0.54) PTGS2SOS1PLA2G7ALDH1A1KMT2A

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