SCHEMBL2913594

SCHEMBL2913594

Cc1ccc2sc(S(=O)(=O)Nc3ccc(C(=O)O)c(C)c3S(C)(=O)=O)c(C)c2c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 12/20 0.66
PFKFB4 Q16877 4/20 0.53
PFKFB3 Q16875 5/20 0.49
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL2914651 0.87 CMA1 (0.60) CMA1PFKFB4PFKFB3
SCHEMBL2912928 0.81 CMA1 (0.81) CMA1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL2904630 0.80 CMA1 (0.79) CMA1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL13484281 0.77 CMA1 (0.58) CMA1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL2905833 0.75 CMA1 (1.00) CMA1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL12032437 0.73 LMNA (0.64) CMA1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL15063580 0.73 PFKFB4 (0.65) CMA1PFKFB4PFKFB3
SCHEMBL5621524 0.72 PFKFB3 (0.70) CMA1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL2912893 0.71 CMA1 (0.82) CMA1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL2910756 0.71 CMA1 (0.85) CMA1PFKFB4PFKFB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325920-B1 N-SUBSTITUTED BENZOTHIOPHENESULFONAMIDE DERIVATIVES TOA EIYO LTD (JP) 2010-08-25 EP claimed