SCHEMBL9070825

SCHEMBL9070825

COc1cc(C(=S)Nc2ccc(C(=O)O)cn2)cc(OCCCc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.56
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
HCAR3 P49019 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL9070871 0.90 GCK (0.66) GCKRARARARBHCAR3
SCHEMBL9070873 0.85 GCK (0.64) GCKRARARARB
SCHEMBL2667714 0.82 GCK (0.76) GCKRARARARB
SCHEMBL2667604 0.81 GCK (0.57) GCKRARARARBHCAR3
SCHEMBL2667932 0.80 GCK (0.51) GCKRARARARBHCAR3
SCHEMBL9070821 0.77 GCK (0.55) GCKRARARARBHCAR3
SCHEMBL9070823 0.77 GCK (0.54) GCKRARARARBHCAR3
SCHEMBL2667954 0.77 GCK (0.76) GCKRARARARB
SCHEMBL9070896 0.76 HCAR3 (0.52) GCKRARARARBHCAR3
SCHEMBL9070824 0.76 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2

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