SCHEMBL10072753

SCHEMBL10072753

CN(C)CCCNS(=O)(=O)/C=C/c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGS2 P35354 9/20 0.43
PTGS1 P23219 5/20 0.43
SFRP1 Q8N474 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL688497 1.00 GAA (0.53) GAAMEN1KMT2APTGS2PTGS1
SCHEMBL13310038 0.82 GAA (0.49) GAAMEN1KMT2APTGS2PTGS1
SCHEMBL688859 0.82 GAA (0.49) GAAMEN1KMT2APTGS2PTGS1
SCHEMBL688340 0.78 PTGS2 (0.52) GAAKMT2APTGS2PTGS1L3MBTL1
SCHEMBL10073338 0.78 PTGS2 (0.52) GAAKMT2APTGS2PTGS1L3MBTL1
SCHEMBL699369 0.78 MEN1 (0.41) MEN1KMT2APTGS2PTGS1L3MBTL1
SCHEMBL687767 0.74 PTGS1 (0.47) MEN1KMT2APTGS2PTGS1
SCHEMBL6461535 0.74 MEN1 (0.47) MEN1KMT2AL3MBTL1
SCHEMBL689132 0.73 PTGS2 (0.51) PTGS2PTGS1L3MBTL1
SCHEMBL687929 0.72 PTGS2 (0.54) PTGS2PTGS1L3MBTL1

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