SCHEMBL9070992

SCHEMBL9070992

CC(C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(Oc2ccc(C(=O)N3CCN(C)CC3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.45
KCNH2 Q12809 4/20 0.45
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
CPT1A P50416 9/20 0.43
CPT1B Q92523 9/20 0.43
SCD O00767 2/20 0.40
HSD17B1 P14061 1/20 0.39
HSD11B1 P28845 1/20 0.39
HSD17B2 P37059 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
SCHEMBL2667694 0.94 GCK (0.48) GCKKCNH2F2F10CPT1A
SCHEMBL9070833 0.94 GCK (0.50) GCKKCNH2F2F10CPT1A
SCHEMBL9071024 0.92 GCK (0.48) GCKKCNH2
SCHEMBL9070994 0.92 MAPK1 (0.51)
SCHEMBL9070953 0.91 SCD (0.46) GCKKCNH2CPT1ACPT1BSCD
SCHEMBL2667481 0.90 F2 (0.42) GCKKCNH2F2F10CPT1A
SCHEMBL9070991 0.89 GCK (0.52) GCKKCNH2
SCHEMBL2667529 0.87 ALDH1A1 (0.51) GCKCPT1ACPT1B
SCHEMBL9070831 0.85 MAPK1 (0.53) GCKKCNH2
SCHEMBL2667699 0.85 ALDH1A1 (0.55) 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