SCHEMBL9070870

SCHEMBL9070870

COc1cc(C(=O)Nc2nccs2)cc(OCCCc2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
BRD4 O60885 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
SCD O00767 1/20 0.49
HPGD P15428 1/20 0.48
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
HPGDS O60760 1/20 0.48
ADRB2 P07550 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL9070830 0.90 NPC1 (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2667715 0.89 NPC1 (0.50) RAB9ANPC1SMN1; SMN2BRD4MAPT
SCHEMBL9070824 0.88 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2MAPK1MEN1
SCHEMBL9070822 0.87 RAB9A (0.47) RAB9ANPC1SMN1; SMN2BRD4MAPT
SCHEMBL9070819 0.86 RAB9A (0.47) RAB9ANPC1SMN1; SMN2BRD4MAPT
SCHEMBL2667605 0.85 NPC1 (0.48) RAB9ANPC1SMN1; SMN2BRD4MAPT
SCHEMBL9070898 0.85 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2BRD4MAPT
SCHEMBL9070914 0.85 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL9070869 0.85 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL2668008 0.84 NPC1 (0.51) RAB9ANPC1SMN1; SMN2BRD4MAPT

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