SCHEMBL20114495

SCHEMBL20114495

CCCOc1cccc2c(C)c(S(=O)(=O)Nc3cccc(C(=O)OC)c3)sc12

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PFKFB4 Q16877 13/20 0.78
PFKFB3 Q16875 12/20 0.78
TCF4 P15884 2/20 0.49
CTNNB1 P35222 2/20 0.49
POLB P06746 1/20 0.46
WDR5 P61964 1/20 0.46
CMA1 P23946 2/20 0.45

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
SCHEMBL788343 0.88 PFKFB4 (1.00) PFKFB4PFKFB3TCF4CTNNB1POLB
SCHEMBL787754 0.82 PFKFB4 (1.00) PFKFB4PFKFB3TCF4CTNNB1POLB
SCHEMBL788176 0.80 PFKFB4 (1.00) PFKFB4PFKFB3POLBWDR5
SCHEMBL787889 0.76 PFKFB3 (0.72) PFKFB4PFKFB3TCF4CTNNB1CMA1
SCHEMBL788203 0.73 PFKFB3 (0.77) PFKFB4PFKFB3TCF4CTNNB1CMA1
SCHEMBL787986 0.73 PFKFB3 (1.00) PFKFB4PFKFB3TCF4CTNNB1CMA1
SCHEMBL787869 0.73 PFKFB3 (1.00) PFKFB4PFKFB3CMA1
SCHEMBL788058 0.72 PFKFB3 (1.00) PFKFB4PFKFB3CMA1
SCHEMBL787888 0.71 PFKFB3 (1.00) PFKFB4PFKFB3CMA1
SCHEMBL787993 0.71 PFKFB4 (1.00) PFKFB4PFKFB3POLBWDR5

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-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 EP disclosed