SCHEMBL5134293

SCHEMBL5134293

O=S(=O)(O)Nc1sccc1-c1ccc(OC(F)(F)F)cc1.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
MAPK8 P45983 1/20 0.41
EPHX2 P34913 1/20 0.37
CHEK1 O14757 1/20 0.37
SCN9A Q15858 2/20 0.36
SCN5A Q14524 1/20 0.36
SCN3A Q9NY46 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ACLY P53396 1/20 0.36
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
CASP3 P42574 1/20 0.34
MAPT P10636 1/20 0.34
AURKA O14965 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL5134292 0.84 KIF11 (0.45) KIF11MAPK8SCN9ASCN3AFFAR4
SCHEMBL5123239 0.71 CASP3 (0.36) KIF11MAPK8EPHX2CHEK1SCN9A
SCHEMBL14033481 0.70 EPHX2 (0.37) KIF11MAPK8EPHX2CHEK1SCN9A
SCHEMBL5052822 0.69 CASP3 (0.41) KIF11SCN9ASCN5ACASP3
SCHEMBL14605699 0.69 KIF11 (0.41) KIF11MAPK8EPHX2SCN9ASCN5A
SCHEMBL5123243 0.66 CASP3 (0.36) KIF11MAPK8EPHX2ERCC5FEN1
SCHEMBL5971941 0.65 KIF11 (0.50) KIF11EPHX2MAPT
SCHEMBL14875138 0.65 FFAR4 (0.47) KIF11EPHX2FFAR4MAPTPTGS2
SCHEMBL14572634 0.63 SCN9A (0.47) KIF11SCN9AFFAR4PTGS2PTGS1
SCHEMBL3176978 0.63 FFAR4 (0.49) KIF11EPHX2FFAR4MAPTPTGS2

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-1940767-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-07-09 EP disclosed
WO-2007030567-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed