SCHEMBL5382064

SCHEMBL5382064

CCOC(=O)CCc1cn(Cc2ccnc(OCc3cn4c(-c5ccccc5)cccc4n3)c2)nc1OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.34
SYK P43405 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KLKB1 P03952 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5382011 0.94 KDM4E (0.35) MAPTKDM4EGAARAB9ATP53
SCHEMBL5379340 0.89 MAPT (0.34) MAPTKDM4ERAB9ATP53SYK
SCHEMBL5387466 0.88 MAPT (0.44) MAPTKDM4EGAARAB9ATP53
SCHEMBL5393683 0.83 PDE4B (0.35) MAPTKDM4EGAARAB9ATP53
SCHEMBL5371988 0.81 KDM4E (0.44) MAPTKDM4EGAARAB9ALMNA
SCHEMBL5374366 0.80 FFAR1 (0.44) MAPTTP53PPARGPPARA
SCHEMBL5379383 0.78 MAPT (0.40) MAPTKDM4EGAARAB9ATP53
SCHEMBL5381944 0.77 MAPT (0.41) MAPTKDM4EGAARAB9ATP53
SCHEMBL5373814 0.75 CYP4F2 (0.50) ALDH1A1CYP4F2CYP4A11LMNA
SCHEMBL5377073 0.74 FFAR1 (0.51) PPARGPPARDPPARA

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