SCHEMBL2653486

SCHEMBL2653486

O=C(O)c1cc(OCc2ccccc2)cc(OC2CCOC2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
NR4A2 P43354 3/20 0.50
PDE4D Q08499 4/20 0.47
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SRD5A2 P31213 2/20 0.45
GCK P35557 1/20 0.45
CTSL P07711 1/20 0.44
F2 P00734 3/20 0.44
F10 P00742 3/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
F7 P08709 3/20 0.44
F3 P13726 3/20 0.44
PRSS3 P35030 3/20 0.44

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
SCHEMBL1774561 1.00 MEN1 (0.63) MEN1KMT2ANR4A2PDE4DPDE4A
SCHEMBL1427097 0.93 MEN1 (0.66) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL1427488 0.89 LMNA (0.49) MEN1KMT2APDE4DPDE4APDE4B
SCHEMBL1427102 0.84 KMT2A (0.71) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL1427078 0.82 LMNA (0.51) MEN1KMT2AALDH1A1F10PRSS1
SCHEMBL338207 0.81 MAOB (0.50) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL1776651 0.81 GCK (0.53) GCKGRM5
SCHEMBL7357911 0.81 PDE4D (0.61) PDE4DPDE4APDE4BPDE4C
SCHEMBL1427203 0.79 GCK (0.64) GCKGRM5
SCHEMBL1427378 0.79 GCK (0.64) GCKGRM5

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-1891069-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B]PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006125958-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2006-11-30 WO disclosed