SCHEMBL2667946

SCHEMBL2667946

COc1cc(C(=O)Nc2nccs2)cc(OCCc2ccsc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
BRD4 O60885 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 8/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 7/20 0.49
HPGDS O60760 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 1/20 0.46
GCK P35557 1/20 0.45
PTGES O14684 1/20 0.44

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
SCHEMBL9070971 0.90 GCK (0.53) SMN1; SMN2BRD4MAPTRAB9AMAPK1
SCHEMBL9070795 0.90 GCK (0.47) SMN1; SMN2BRD4MAPTRAB9AMAPK1
SCHEMBL2667643 0.87 RAB9A (0.49) SMN1; SMN2MAPTRAB9AMAPK1NPC1
SCHEMBL2667945 0.87 RAB9A (0.51) SMN1; SMN2BRD4MAPTRAB9AMAPK1
SCHEMBL2667957 0.85 SMN1; SMN2 (0.44) SMN1; SMN2BRD4MAPTRAB9AMAPK1
SCHEMBL9070870 0.84 RAB9A (0.53) SMN1; SMN2BRD4MAPTRAB9AMAPK1
SCHEMBL2667947 0.82 CASP3 (0.56) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL9070898 0.81 SMN1; SMN2 (0.56) SMN1; SMN2BRD4MAPTRAB9AMAPK1
SCHEMBL2667755 0.81 NPC1 (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA
SCHEMBL2667940 0.81 GCK (0.68) GCK

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