SCHEMBL2647102

SCHEMBL2647102

CNC(=O)c1ccccc1Oc1cc2nc(-c3ccccn3)[nH]c2cc1Oc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.47
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CBFB Q13951 2/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 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
SCHEMBL2645647 0.90 GCK (0.51) GCKKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2644746 0.89 GCK (0.49) GCKKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2645213 0.89 GCK (0.51) GCKNPC1RAB9ACBFB
SCHEMBL2646017 0.89 CHEK2 (0.48) GCKKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2650150 0.86 NPC1 (0.46) GCKKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2645464 0.85 NPC1 (0.60) GCKKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2645994 0.85 GCK (0.58) GCKCBFB
SCHEMBL2647747 0.84 GCK (0.51) GCK
SCHEMBL2645280 0.82 GCK (0.52) GCKNPC1RAB9ACBFB
SCHEMBL2646729 0.81 CBFB (0.47) GCKKDM4ENPC1RAB9ASMN1; SMN2

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