SCHEMBL2667602

SCHEMBL2667602

COc1cc(C(=O)Nc2nccs2)cc(OC(C)C)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
BRD4 O60885 1/20 0.59
MAPT P10636 1/20 0.59
RAB9A P51151 7/20 0.55
NPC1 O15118 5/20 0.55
MAPK1 P28482 1/20 0.55
GCK P35557 3/20 0.53
HPGDS O60760 1/20 0.51
ADORA2A P29274 2/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ADORA1 P30542 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SCD O00767 1/20 0.47

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
SCHEMBL9070999 0.88 RAB9A (0.63) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL9070879 0.88 GCK (0.62) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2667507 0.88 GCK (0.62) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2667508 0.88 GCK (0.62) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2667721 0.87 GCK (0.56) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL9070865 0.87 SMN1; SMN2 (0.50) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL9070829 0.87 SMN1; SMN2 (0.52) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2667933 0.87 LMNA (0.43) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2667594 0.86 GCK (0.49) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL9070875 0.86 GCK (0.56) SMN1; SMN2BRD4MAPTRAB9ANPC1

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