SCHEMBL9070971

SCHEMBL9070971

CC(C)Oc1cc(C(=O)Nc2nccs2)cc(OCCc2ccsc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.45
BRD4 O60885 1/20 0.45
MAPT P10636 1/20 0.45
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
ADORA2A P29274 3/20 0.42
KCNH2 Q12809 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL9070795 0.91 GCK (0.47) GCKSMN1; SMN2BRD4MAPTPTGES
SCHEMBL9070922 0.90 GCK (0.43) GCKSMN1; SMN2PTGESALOX5RAB9A
SCHEMBL2668008 0.90 NPC1 (0.51) GCKSMN1; SMN2BRD4MAPTRAB9A
SCHEMBL2667946 0.90 SMN1; SMN2 (0.53) GCKSMN1; SMN2BRD4MAPTPTGES
SCHEMBL9070963 0.88 GCK (0.52) GCKSMN1; SMN2MAPTPTGESALOX5
SCHEMBL9070970 0.87 GCK (0.51) GCKSMN1; SMN2PTGESALOX5RAB9A
SCHEMBL2664775 0.86 GCK (0.68) GCKSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL9070964 0.86 GCK (0.50) GCKPTGESALOX5RAB9AALDH1A1
SCHEMBL9070893 0.85 SMN1; SMN2 (0.44) GCKSMN1; SMN2PTGESALOX5RAB9A
SCHEMBL2667715 0.85 NPC1 (0.50) GCKSMN1; SMN2BRD4MAPTRAB9A

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