SCHEMBL793539

SCHEMBL793539

CCCCOC(=O)c1cccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c1.CCOC(=O)c1cccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c1OC

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PFKFB4 Q16877 11/20 0.71
PFKFB3 Q16875 11/20 0.71
CMA1 P23946 7/20 0.52

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
SCHEMBL788791 0.89 PFKFB3 (0.90) PFKFB4PFKFB3CMA1
SCHEMBL788073 0.86 PFKFB3 (0.88) PFKFB4PFKFB3CMA1
SCHEMBL788794 0.85 PFKFB3 (0.86) PFKFB4PFKFB3CMA1
SCHEMBL788429 0.84 PFKFB3 (0.87) PFKFB4PFKFB3CMA1
SCHEMBL788058 0.84 PFKFB3 (1.00) PFKFB4PFKFB3CMA1
SCHEMBL806139 0.81 PFKFB3 (0.84) PFKFB4PFKFB3CMA1
SCHEMBL787676 0.80 PFKFB3 (1.00) PFKFB4PFKFB3CMA1
SCHEMBL794845 0.80 PFKFB3 (0.78) PFKFB4PFKFB3CMA1
SCHEMBL787869 0.79 PFKFB3 (1.00) PFKFB4PFKFB3CMA1
SCHEMBL794377 0.77 PFKFB3 (0.79) PFKFB4PFKFB3CMA1

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-2616450-A2 SULFONAMIDE COMPOUNDS Kancera AB (SE) 2013-07-24 EP claimed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 WO claimed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO disclosed