SCHEMBL2654780

SCHEMBL2654780

CCCOc1cc(O)cc(C(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.48
CHRNA4 P43681 4/20 0.48
CHRNB4 P30926 3/20 0.48
CHRNA3 P32297 3/20 0.48
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP3 P42574 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
GCK P35557 11/20 0.44
KCNH2 Q12809 4/20 0.44
MAPT P10636 2/20 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
SCHEMBL2655778 0.85 GCK (0.62) CHRNB2CHRNA4CHRNB4CHRNA3NPC1
SCHEMBL2655335 0.82 GCK (0.44) GCKKCNH2
SCHEMBL1427361 0.82 GCK (0.51) GCKKCNH2
SCHEMBL2660380 0.81 GCK (0.65) GCKKCNH2
SCHEMBL1427153 0.81 GCK (0.65) GCKKCNH2
SCHEMBL2653357 0.81 NPC1 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3NPC1
SCHEMBL1427229 0.81 GCK (0.64) GCKKCNH2
SCHEMBL4783311 0.81 GCK (0.64) GCKKCNH2
SCHEMBL2655663 0.79 GCK (0.51) GCKKCNH2
SCHEMBL1427033 0.77 GRM5 (0.53) GCK

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-1902052-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES AstraZeneca AB (SE) 2008-03-26 EP disclosed
WO-2007007041-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed