SCHEMBL10073338

SCHEMBL10073338

CNS(=O)(=O)/C=C/c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.52
PTGS1 P23219 7/20 0.52
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TTR P02766 1/20 0.43
PPARG P37231 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL688340 1.00 PTGS2 (0.52) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL687929 0.82 PTGS2 (0.54) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL687927 0.82 PTGS2 (0.54) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL687733 0.81 PTGS2 (0.72) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL689133 0.81 PTGS2 (0.52) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL687734 0.81 PTGS2 (0.72) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL689131 0.81 PTGS2 (0.52) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL13310038 0.80 GAA (0.49) PTGS2PTGS1HTTKMT2APPARG
SCHEMBL688859 0.80 GAA (0.49) PTGS2PTGS1HTTKMT2APPARG
SCHEMBL689132 0.79 PTGS2 (0.51) PTGS2PTGS1ATMTDP1L3MBTL1

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-1606248-B1 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-02-29 EP disclosed
US-7737139-B2 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2010-06-15 US disclosed
US-7737139-B2 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2010-06-15 US disclosed