SCHEMBL9070898

SCHEMBL9070898

CCCCCOc1cc(C(=O)Nc2nccs2)cc(OC)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
BRD4 O60885 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK1 P28482 1/20 0.52
ADORA2A P29274 4/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
KMT2A Q03164 1/20 0.51
RELA Q04206 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGDS O60760 1/20 0.48
ADORA1 P30542 2/20 0.48

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
SCHEMBL2667500 0.87 L3MBTL1 (0.46) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL9070870 0.85 RAB9A (0.53) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL9070900 0.83 RAB9A (0.55) SMN1; SMN2MAPTRAB9ANPC1L3MBTL1
SCHEMBL2667680 0.83 SMN1; SMN2 (0.57) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2667946 0.81 SMN1; SMN2 (0.53) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL9070899 0.81 RAB9A (0.49) SMN1; SMN2RAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL2667602 0.81 SMN1; SMN2 (0.59) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2667941 0.78 NPC1 (0.57) SMN1; SMN2MAPTRAB9ANPC1L3MBTL1
SCHEMBL2667943 0.78 NPC1 (0.54) SMN1; SMN2MAPTRAB9ANPC1L3MBTL1
SCHEMBL9070896 0.75 HCAR3 (0.52)

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