SCHEMBL5376645

SCHEMBL5376645

O=C(O)C(Cc1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)nc1-c1cccs1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
MAPT P10636 3/20 0.45
TSHR P16473 3/20 0.45
NPC1 O15118 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
ALOX5 P09917 1/20 0.41
PPARA Q07869 3/20 0.39
HSD17B10 Q99714 3/20 0.38
POLB P06746 2/20 0.37
TP53 P04637 2/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL7540595 0.92 RAB9A (0.43) RAB9AMAPTTSHRNPC1L3MBTL1
SCHEMBL5372403 0.89 MAPT (0.42) RAB9AMAPTTSHRNPC1L3MBTL1
SCHEMBL6589744 0.89 MAPT (0.42) RAB9AMAPTTSHRNPC1L3MBTL1
SCHEMBL5383106 0.89 FFAR1 (0.47) RAB9AMAPTTSHRNPC1L3MBTL1
SCHEMBL5377119 0.88 ALDH1A1 (0.45) RAB9AMAPTTSHRNPC1L3MBTL1
SCHEMBL5379428 0.86 RAB9A (0.46) RAB9AMAPTTSHRNPC1L3MBTL1
SCHEMBL5377121 0.86 ALDH1A1 (0.44) RAB9AMAPTTSHRNPC1L3MBTL1
SCHEMBL5385319 0.86 PPARA (0.49) ALDH1A1KDM4EPPARAPOLBRXFP1
SCHEMBL5376626 0.83 ALDH1A1 (0.49) RAB9AMAPTTSHRNPC1L3MBTL1
SCHEMBL5379384 0.83 ALDH1A1 (0.67) RAB9AMAPTTSHRNPC1L3MBTL1

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