SCHEMBL794845

SCHEMBL794845

CCOC(=O)c1cccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c1.Cc1c(S(=O)(=O)Nc2cccc(C(=O)OCCn3cccc3)c2)sc2ccc(Cl)cc12

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 12/20 0.78
PFKFB4 Q16877 11/20 0.78
CMA1 P23946 5/20 0.56
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR6 P50406 1/20 0.48

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
SCHEMBL794377 0.97 PFKFB3 (0.79) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL788429 0.91 PFKFB3 (0.87) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL788058 0.88 PFKFB3 (1.00) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL788791 0.86 PFKFB3 (0.90) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL788073 0.85 PFKFB3 (0.88) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL806139 0.85 PFKFB3 (0.84) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL788794 0.85 PFKFB3 (0.86) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL787676 0.82 PFKFB3 (1.00) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL787869 0.82 PFKFB3 (1.00) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL2910759 0.81 CMA1 (0.82) PFKFB3PFKFB4CMA1NPSR1L3MBTL1

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