SCHEMBL788389

SCHEMBL788389

CCCc1ccc2oc(S(=O)(=O)Nc3cccc(C(=O)OC)c3)c(C)c2c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 8/20 0.56
TCF4 P15884 2/20 0.49
CTNNB1 P35222 2/20 0.49
POLB P06746 1/20 0.46
PFKFB4 Q16877 6/20 0.46
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
HIF1A Q16665 5/20 0.44
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSPD1 P10809 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 1/20 0.42
HSPE1 P61604 1/20 0.42

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
SCHEMBL788388 0.82 PFKFB3 (0.81) PFKFB3TCF4CTNNB1POLBPFKFB4
SCHEMBL787889 0.80 PFKFB3 (0.72) PFKFB3TCF4CTNNB1PFKFB4
SCHEMBL788018 0.72 PFKFB3 (1.00) PFKFB3POLBPFKFB4SMN1; SMN2PTPN1
SCHEMBL1696378 0.69 CYP4F2 (0.76) MAPTHIF1ASMN1; SMN2
SCHEMBL4187307 0.69 POLB (0.72) PFKFB3TCF4CTNNB1POLBPFKFB4
SCHEMBL2896310 0.68 TCF4 (0.73) PFKFB3TCF4CTNNB1POLBPFKFB4
SCHEMBL4116745 0.68 RAB9A (0.67) TP53MAPTHIF1ASMN1; SMN2
SCHEMBL16116948 0.67 TCF4 (1.00) TCF4CTNNB1POLBMAPTLMNA
SCHEMBL31253926 0.67 TCF4 (1.00) TCF4CTNNB1POLBMAPTLMNA
SCHEMBL31681336 0.67 POLB (0.69) PFKFB3TCF4CTNNB1POLBMAPT

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 5 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
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