SCHEMBL2667680

SCHEMBL2667680

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
BRD4 O60885 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
MAPK1 P28482 1/20 0.53
ADORA2A P29274 6/20 0.50
GCK P35557 1/20 0.50
HPGDS O60760 1/20 0.49
ADORA1 P30542 2/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
ADORA2B P29275 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL9070865 0.90 SMN1; SMN2 (0.50) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2667602 0.86 SMN1; SMN2 (0.59) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2667667 0.84 NPC1 (0.51) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL9070898 0.83 SMN1; SMN2 (0.56) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2664728 0.82 GCK (0.60) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL9070795 0.82 GCK (0.47) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL9070870 0.80 RAB9A (0.53) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2667507 0.79 GCK (0.62) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL9070879 0.79 GCK (0.62) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2667508 0.79 GCK (0.62) 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