SCHEMBL2666564

SCHEMBL2666564

CC[C@@H](COC)Oc1cc(OCc2ccccc2)cc(C(=O)NC(=N)/C=C\NC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
SMPD1 P17405 1/20 0.36
APAF1 O14727 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
MAOB P27338 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
SCHEMBL13209325 0.89 GCK (0.51) GCKMEN1KMT2ARARARARB
SCHEMBL2666549 0.85 GCK (0.38) GCK
SCHEMBL1426986 0.80 LMNA (0.55) GCKMEN1KMT2ASMPD1APAF1
SCHEMBL1776766 0.80 LMNA (0.55) GCKMEN1KMT2ASMPD1APAF1
SCHEMBL1427178 0.80 MEN1 (0.64) GCKMEN1KMT2ARARARARB
SCHEMBL13209565 0.77 GCK (0.46) GCKRARARARB
SCHEMBL2666697 0.77 TDP1 (0.33) GCK
SCHEMBL2666718 0.76 GCK (0.38) GCK
SCHEMBL14018076 0.75 GCK (0.47) GCKRARARARBSPHK2SPHK1
SCHEMBL1652791 0.74 GCK (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006040529-A1 BENZAMIDE DERIVATIVES THAT ACT UPON THE GLUCOKINASE ENZYME ASTRAZENECA AB (SE) 2006-04-20 WO disclosed