SCHEMBL2644586

SCHEMBL2644586

CS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4cnsn4)nc3cc2Oc2ccccc2C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.42
DHODH Q02127 1/20 0.40
SCN9A Q15858 2/20 0.38
CBFB Q13951 1/20 0.38
ATR Q13535 1/20 0.37
NPBWR1 P48145 1/20 0.36

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
SCHEMBL2647178 0.86 GCK (0.42) GCKDHODHCBFBATRNPBWR1
SCHEMBL2644522 0.86 GCK (0.48) GCKDHODHCBFB
SCHEMBL2646272 0.85 GCK (0.56) GCKCBFB
SCHEMBL2646084 0.85 GCK (0.56) GCKCBFB
SCHEMBL2644895 0.85 GCK (0.42) GCKDHODHCBFBATRNPBWR1
SCHEMBL2648299 0.84 GCK (0.46) GCKDHODHCBFB
SCHEMBL2646054 0.81 DHODH (0.41) GCKDHODHCBFBNPBWR1
SCHEMBL2643513 0.77 GCK (0.46) GCKCBFB
SCHEMBL2646884 0.76 GCK (0.43) GCKDHODHCBFB
SCHEMBL2653649 0.74 GCK (0.51) GCKCBFB

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-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP disclosed