SCHEMBL2655778

SCHEMBL2655778

CCCOc1cc(OCc2ccccc2)cc(C(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 11/20 0.62
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CHRNB2 P17787 2/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
CHRNA4 P43681 2/20 0.47
RARA P10276 2/20 0.47
RARB P10826 2/20 0.47
RARG P13631 1/20 0.47
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
NFKB1 P19838 1/20 0.45
CASP3 P42574 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL1427030 0.87 GCK (0.75) GCKRARARARBRARG
SCHEMBL2654780 0.85 CHRNB2 (0.48) GCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1493779 0.84 GCK (0.66) GCKRARARARBKCNH2
SCHEMBL1426977 0.84 GCK (0.66) GCKRARARARBKCNH2
SCHEMBL2653575 0.84 GCK (0.72) GCKMEN1KMT2ARARARARB
SCHEMBL1427187 0.82 GCK (0.55) GCKMEN1KMT2A
SCHEMBL2657812 0.81 GCK (0.54) GCKMEN1KMT2ARARARARB
SCHEMBL1776651 0.80 GCK (0.53) GCKKCNH2
SCHEMBL1043481 0.80 GCK (0.58) GCKRARARARBKCNH2
SCHEMBL2071950 0.80 GCK (0.52) GCKMEN1KMT2ARARARARB

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