SCHEMBL5377119

SCHEMBL5377119

O=C(CC(=O)OCc1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)nc1-c1cccs1)OCc1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)nc1-c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 7/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 5/20 0.42
RXFP1 Q9HBX9 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PPARA Q07869 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL5377121 0.97 ALDH1A1 (0.44) ALDH1A1MAPTRAB9ANPC1TSHR
SCHEMBL5372403 0.88 MAPT (0.42) ALDH1A1MAPTRAB9ANPC1TSHR
SCHEMBL6589744 0.88 MAPT (0.42) ALDH1A1MAPTRAB9ANPC1TSHR
SCHEMBL5383106 0.88 FFAR1 (0.47) ALDH1A1MAPTRAB9ANPC1TSHR
SCHEMBL5376645 0.88 RAB9A (0.45) ALDH1A1MAPTRAB9ANPC1TSHR
SCHEMBL6589707 0.87 FFAR1 (0.49) ALDH1A1MAPTPOLBRXFP1LMNA
SCHEMBL5379428 0.86 RAB9A (0.46) ALDH1A1MAPTRAB9ANPC1TSHR
SCHEMBL7540595 0.85 RAB9A (0.43) ALDH1A1MAPTRAB9ANPC1TSHR
SCHEMBL6589710 0.84 FFAR1 (0.50) ALDH1A1MAPTPOLBRXFP1LMNA
SCHEMBL5372050 0.83 RAB9A (0.46) ALDH1A1MAPTRAB9ANPC1TSHR

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