SCHEMBL9070822

SCHEMBL9070822

COc1cc(C(=O)Nc2nccs2)cc(SCCCc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 2/20 0.47
BRD4 O60885 1/20 0.47
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SCD O00767 1/20 0.44
HPGD P15428 2/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
HPGDS O60760 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9070870 0.87 RAB9A (0.53) RAB9ANPC1HSD17B10SMN1; SMN2MAPT
SCHEMBL9070887 0.85 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL9070885 0.85 ALDH1A1 (0.47) RAB9ANPC1HSD17B10SMN1; SMN2MAPK1
SCHEMBL2667497 0.83 SCD (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9070819 0.81 RAB9A (0.47) RAB9ANPC1HSD17B10SMN1; SMN2MAPT
SCHEMBL9070821 0.80 GCK (0.55)
SCHEMBL9070830 0.77 NPC1 (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2667715 0.77 NPC1 (0.50) RAB9ANPC1SMN1; SMN2MAPTBRD4
SCHEMBL2667605 0.77 NPC1 (0.48) RAB9ANPC1HSD17B10SMN1; SMN2MAPT
SCHEMBL9070824 0.75 SMN1; SMN2 (0.44) RAB9ANPC1HSD17B10SMN1; SMN2MAPK1

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