SCHEMBL9070812

SCHEMBL9070812

COC[C@@H](C)Oc1cc(C(=O)Nc2nc(C)cs2)cc(Oc2ccc(C(=O)N3CCOCC3)cn2)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.54
GRM5 P41594 2/20 0.46
KCNH2 Q12809 3/20 0.45
POLB P06746 1/20 0.43
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
SCD O00767 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTBP1 P26599 1/20 0.39

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
SCHEMBL2667348 0.93 GCK (0.59) GCKGRM5KCNH2MAPK1ALDH1A1
SCHEMBL9070839 0.91 POLB (0.47) GCKGRM5POLBMAPK1SMN1; SMN2
SCHEMBL2667781 0.90 GCK (0.50) GCKGRM5KCNH2POLBSCD
SCHEMBL2667351 0.90 GCK (0.48) GCKKCNH2MAPK1SMN1; SMN2LMNA
SCHEMBL9070817 0.89 ALDH1A1 (0.51) GCKPOLBMAPK1SMN1; SMN2LMNA
SCHEMBL9070815 0.89 GCK (0.51) GCKKCNH2SMN1; SMN2LMNAALDH1A1
SCHEMBL2667345 0.85 GCK (0.58) GCKKCNH2
SCHEMBL9070966 0.84 GRM5 (0.50) GCKGRM5SMN1; SMN2MAPTHPGD
SCHEMBL9070969 0.84 GCK (0.54) GCKKCNH2
SCHEMBL9070816 0.83 GCK (0.58) 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