SCHEMBL2667693

SCHEMBL2667693

CC(C)Oc1cc(C(=O)NC(=N)S)cc(Oc2ccc(C(=O)N3CCCC3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.47
KCNH2 Q12809 10/20 0.47
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
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
HPGD P15428 3/20 0.41
F2 P00734 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCD O00767 1/20 0.38

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
SCHEMBL2667997 0.98 GCK (0.49) GCKKCNH2MEN1GAAHTT
SCHEMBL9070952 0.92 MDM2 (0.48) GCKKCNH2MEN1GAAKMT2A
SCHEMBL2667970 0.89 GCK (0.51) GCKKCNH2
SCHEMBL9070944 0.88 GCK (0.46) GCKMEN1GAAHTTKMT2A
SCHEMBL9071057 0.87 GCK (0.53) GCKKCNH2
SCHEMBL9070903 0.86 GCK (0.48) GCKKCNH2
SCHEMBL2667770 0.84 F2 (0.43) GCKMEN1GAAKMT2AF10
SCHEMBL9070832 0.82 F10 (0.43) GCKGAAKMT2AF10PRSS1
SCHEMBL9070902 0.81 HRH3 (0.46) GCKKCNH2KDM4E
SCHEMBL2667708 0.80 GCK (0.54) GCKKCNH2MEN1GAAHTT

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