SCHEMBL788161

SCHEMBL788161

Cc1c(S(=O)(=O)Nc2ccccc2CC(=O)O)sc2ccc(C(C)C)cc12

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 13/20 0.69
PFKFB4 Q16877 8/20 0.62
CMA1 P23946 5/20 0.43

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
SCHEMBL788416 0.85 PFKFB3 (0.68) PFKFB3PFKFB4CMA1
SCHEMBL787910 0.82 PFKFB3 (1.00) PFKFB3PFKFB4
SCHEMBL788169 0.76 PFKFB3 (1.00) PFKFB3PFKFB4
SCHEMBL28652870 0.74 PFKFB3 (0.71) PFKFB3PFKFB4CMA1
SCHEMBL788563 0.74 PFKFB3 (1.00) PFKFB3PFKFB4
SCHEMBL9997094 0.73 PFKFB3 (0.71) PFKFB3PFKFB4CMA1
SCHEMBL787888 0.73 PFKFB3 (1.00) PFKFB3PFKFB4CMA1
SCHEMBL793880 0.73 PFKFB3 (1.00) PFKFB3PFKFB4
SCHEMBL793936 0.73 PFKFB4 (1.00) PFKFB3PFKFB4CMA1
SCHEMBL793735 0.73 PFKFB3 (0.75) PFKFB3PFKFB4CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616450-A2 SULFONAMIDE COMPOUNDS Kancera AB (SE) 2013-07-24 EP disclosed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 WO disclosed