SCHEMBL2667741

SCHEMBL2667741

CC(C)Oc1cc(C(=O)Nc2nccs2)cc(S(=O)(=O)CCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.50
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
KCNH2 Q12809 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SCD O00767 1/20 0.43

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
SCHEMBL2668008 0.85 NPC1 (0.51) GCKNPC1RAB9AKCNK3KCNK9
SCHEMBL9070819 0.85 RAB9A (0.47) GCKNPC1RAB9APOLBKCNK3
SCHEMBL2667715 0.84 NPC1 (0.50) GCKNPC1RAB9AKCNK3KCNK9
SCHEMBL9070882 0.83 NPC1 (0.53) GCKNPC1RAB9AKCNK3KCNK9
SCHEMBL2668015 0.83 NPC1 (0.53) GCKNPC1RAB9AKCNK3KCNK9
SCHEMBL2667598 0.83 NPC1 (0.53) GCKNPC1RAB9AKCNK3KCNK9
SCHEMBL2667998 0.83 NPC1 (0.53) GCKNPC1RAB9AKCNK3KCNK9
SCHEMBL2667934 0.82 GCK (0.62) GCKKCNH2SMN1; SMN2
SCHEMBL2667745 0.81 GCK (0.61) GCK
SCHEMBL9070923 0.80 GCK (0.46) GCKKCNH2SMN1; 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