SCHEMBL2667697

SCHEMBL2667697

COC[C@@H](C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(Oc2cccc(C)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 2/20 0.47
KCNH2 Q12809 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
GRM5 P41594 2/20 0.45
HTT P42858 1/20 0.44
CPT1A P50416 2/20 0.43
CPT1B Q92523 2/20 0.43
SCD O00767 2/20 0.43
PDE5A O76074 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2667678 0.92 MAPK1 (0.59) GCKGAAMAPTMAPK1KCNH2
SCHEMBL2667802 0.91 GCK (0.50) GCKMAPK1KCNH2GRM5CPT1A
SCHEMBL2667555 0.91 GCK (0.53) GCKGAAMAPTMAPK1TDP1
SCHEMBL9071021 0.88 GCK (0.51) GCKMAPTMAPK1KCNH2GRM5
SCHEMBL2667538 0.87 GCK (0.50) GCKKCNH2GRM5CPT1ACPT1B
SCHEMBL2667580 0.87 GCK (0.50) GCKKCNH2GRM5CPT1ACPT1B
SCHEMBL2667999 0.85 MAPT (0.49) GCKGAAMAPTMAPK1KCNH2
SCHEMBL2668009 0.85 GRM5 (0.48) GCKGAAMAPTMAPK1KCNH2
SCHEMBL2667961 0.85 ALDH1A1 (0.49) GCKKCNH2GRM5SCDPDE5A
SCHEMBL2667683 0.85 GCK (0.63) GCKKCNH2

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-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed