SCHEMBL9070833

SCHEMBL9070833

CC(C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(Oc2ccc(C(=O)N3CCC3)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.50
KCNH2 Q12809 9/20 0.50
CPT1A P50416 2/20 0.43
CPT1B Q92523 2/20 0.43
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42

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 0.98 GCK (0.48) GCKKCNH2CPT1ACPT1BF2
SCHEMBL9070992 0.94 GCK (0.45) GCKKCNH2CPT1ACPT1BF2
SCHEMBL9070953 0.93 SCD (0.46) GCKKCNH2CPT1ACPT1B
SCHEMBL9070831 0.91 MAPK1 (0.53) GCKKCNH2
SCHEMBL9071058 0.91 GCK (0.53) GCKKCNH2
SCHEMBL2667969 0.90 GCK (0.51) GCKKCNH2
SCHEMBL2667699 0.90 ALDH1A1 (0.55) GCKKCNH2
SCHEMBL9070911 0.90 GCK (0.46) GCKKCNH2CPT1ACPT1BF2
SCHEMBL9070943 0.88 GCK (0.45) GCKKCNH2CPT1ACPT1BF2
SCHEMBL2667389 0.86 ALDH1A1 (0.56) GCKKCNH2CPT1ACPT1B

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