SCHEMBL2643347

SCHEMBL2643347

CCS(=O)(=O)c1ccc(Oc2cc(Cn3ccc(C(C)=O)n3)c3nc(-c4ccccn4)[nH]c3c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.44
CBFB Q13951 3/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RUNX1 Q01196 1/20 0.35

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
SCHEMBL1657596 0.86 GCK (0.45) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL1657280 0.86 GCK (0.45) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL1659539 0.85 GCK (0.46) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL1659552 0.83 GCK (0.46) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL1657249 0.83 GCK (0.47) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL1656544 0.81 GCK (0.44) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL1656342 0.81 GCK (0.41) GCKCBFBRUNX1
SCHEMBL1656745 0.81 GCK (0.45) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL1656624 0.80 GCK (0.43) GCKCBFBNPC1RAB9ARUNX1
SCHEMBL2646318 0.80 CBFB (0.46) 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-1810969-B1 ARYLOXY-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES MSD KK (JP) 2013-08-07 EP disclosed
EP-1810969-A1 ARYLOXY-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-07-25 EP disclosed