SCHEMBL2667997

SCHEMBL2667997

CC(C)Oc1cc(C(=O)NC(=N)S)cc(Oc2ccc(C(=O)N3CCC3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.49
KCNH2 Q12809 10/20 0.49
F10 P00742 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
ST14 Q9Y5Y6 2/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 1/20 0.39
F2 P00734 1/20 0.39
HPGD P15428 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
SCHEMBL2667693 0.98 GCK (0.47) GCKKCNH2F10PRSS1PRSS2
SCHEMBL9070952 0.92 MDM2 (0.48) GCKKCNH2F10PRSS1PRSS2
SCHEMBL9071057 0.89 GCK (0.53) GCKKCNH2
SCHEMBL9070903 0.88 GCK (0.48) GCKKCNH2HRH3
SCHEMBL2667970 0.87 GCK (0.51) GCKKCNH2
SCHEMBL9070944 0.86 GCK (0.46) GCKMEN1GAAHTTKMT2A
SCHEMBL2667770 0.84 F2 (0.43) GCKF10PRSS1PRSS2PRSS3
SCHEMBL9070832 0.82 F10 (0.43) GCKF10PRSS1PRSS2PRSS3
SCHEMBL9070902 0.81 HRH3 (0.46) GCKKCNH2HRH3
SCHEMBL2668004 0.80 GCK (0.56) 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