SCHEMBL5372403

SCHEMBL5372403

OCc1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)nc1-c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
TSHR P16473 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CYP19A1 P11511 2/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
PDE10A Q9Y233 3/20 0.39

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
SCHEMBL6589744 0.91 MAPT (0.42) MAPTTSHRRAB9ANPC1L3MBTL1
SCHEMBL5383106 0.89 FFAR1 (0.47) MAPTTSHRRAB9ANPC1L3MBTL1
SCHEMBL5376645 0.89 RAB9A (0.45) MAPTTSHRRAB9ANPC1L3MBTL1
SCHEMBL5377119 0.88 ALDH1A1 (0.45) MAPTTSHRRAB9ANPC1L3MBTL1
SCHEMBL5377121 0.87 ALDH1A1 (0.44) MAPTTSHRRAB9ANPC1L3MBTL1
SCHEMBL5379428 0.87 RAB9A (0.46) MAPTTSHRRAB9ANPC1L3MBTL1
SCHEMBL7571506 0.86 KCNH2 (0.45) MAPTTSHRRAB9ANPC1L3MBTL1
SCHEMBL5379026 0.85 FFAR1 (0.48) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL5376626 0.85 ALDH1A1 (0.49) MAPTTSHRRAB9ANPC1L3MBTL1
SCHEMBL7540595 0.85 RAB9A (0.43) MAPTTSHRRAB9ANPC1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed