SCHEMBL2646292

SCHEMBL2646292

CS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2Oc2cc(F)ccc2F)cn1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.52
CBFB Q13951 3/20 0.48
METAP2 P50579 1/20 0.48
METAP1 P53582 1/20 0.48
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RUNX1 Q01196 1/20 0.43

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
SCHEMBL2645526 0.94 GCK (0.52) GCKCBFBMETAP2METAP1NPC1
SCHEMBL2646481 0.93 GCK (0.52) GCKCBFBMETAP2METAP1
SCHEMBL2645557 0.92 GCK (0.52) GCKCBFBMETAP2METAP1
SCHEMBL2646090 0.90 GCK (0.50) GCKCBFBMETAP2METAP1NPC1
SCHEMBL2645069 0.90 GCK (0.44) GCKCBFBMETAP2METAP1
SCHEMBL2646317 0.90 GCK (0.53) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL2646027 0.88 GCK (0.49) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL2644729 0.87 CBFB (0.48) GCKCBFBMETAP2METAP1NPC1
SCHEMBL2646739 0.87 GCK (0.48) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL2646320 0.87 GCK (0.48) GCKCBFBNPC1RAB9ARUNX1

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