SCHEMBL2656722

SCHEMBL2656722

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.47
PTGS2 P35354 2/20 0.45
KMT2A Q03164 1/20 0.44
HAO1 Q9UJM8 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40

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
SCHEMBL2659524 0.89 GCK (0.45) GCKPTGS2KMT2AHAO1GPR119
SCHEMBL2667440 0.84 GCK (0.66) GCK
SCHEMBL2667759 0.83 GCK (0.47) GCKPTGS2F2F10
SCHEMBL1107736 0.82 GCK (0.60) GCKPTGS2KMT2A
SCHEMBL2667675 0.81 GCK (0.52) GCK
SCHEMBL9987882 0.80 GCK (0.47) GCKPTGS2
SCHEMBL851897 0.80 SCN9A (0.50) KMT2AF2F10
SCHEMBL2658908 0.79 GCK (0.76) GCK
SCHEMBL2667679 0.79 GCK (0.78) GCKKMT2A
SCHEMBL2656280 0.78 KMT2A (0.52) KMT2AF2F10

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