SCHEMBL9070901

SCHEMBL9070901

CC(C)Oc1cc(C(=O)Nc2nccs2)cc(Oc2ccc(C(=O)N3CCN(C)CC3)cn2)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.51
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 6/20 0.44
ALDH1A1 P00352 1/20 0.43
ADORA2A P29274 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
HPGDS O60760 1/20 0.41
NPC1 O15118 2/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL2667478 0.94 GCK (0.55) GCKKCNH2HRH3ALDH1A1ADORA2A
SCHEMBL9070910 0.94 GCK (0.57) GCKKCNH2HRH3ALDH1A1ADORA2A
SCHEMBL2667778 0.92 GCK (0.49) GCKKCNH2HRH3ALDH1A1ADORA2A
SCHEMBL9070990 0.90 GCK (0.60) GCKKCNH2ALDH1A1RAB9ANPC1
SCHEMBL2667481 0.86 F2 (0.42) GCKKCNH2HRH3
SCHEMBL2667346 0.85 GCK (0.56) GCKKCNH2
SCHEMBL2667475 0.85 GCK (0.51) GCKHRH3
SCHEMBL2668003 0.84 GCK (0.68) GCKKCNH2RAB9ANPC1
SCHEMBL2667638 0.84 GCK (0.66) GCKKCNH2RAB9ASMN1; SMN2MAPK1
SCHEMBL2667980 0.84 GCK (0.47) GCKALDH1A1ADORA2ARAB9ASMN1; 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