SCHEMBL5385072

SCHEMBL5385072

Cc1oc(-c2ccncc2)nc1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
KDR P35968 1/20 0.45
HPGD P15428 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
TP53 P04637 2/20 0.42
PKM P14618 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
PPARD Q03181 1/20 0.40
PDE4B Q07343 1/20 0.40
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 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
SCHEMBL7914489 0.87 KDM4E (0.48) KDM4EKDRHPGDRAB9ANPC1
SCHEMBL4925692 0.84 TP53 (0.52) KDM4EHPGDRAB9ANPC1TP53
SCHEMBL4037331 0.84 KDM4E (0.69) KDM4EKDRHPGDRAB9ANPC1
SCHEMBL5096428 0.81 ALDH1A1 (0.51) KDM4EKDRRAB9ANPC1TP53
SCHEMBL5762006 0.81 HSD17B10 (0.56) KDM4EHPGDTP53PPARAHSD17B10
SCHEMBL5093853 0.81 TARBP2 (0.54) KDM4EKDRHPGDRAB9ANPC1
SCHEMBL9831925 0.81 PTPN1 (0.51) KDM4ERAB9ATP53PPARGPPARA
SCHEMBL7922595 0.81 KDM4E (0.56) KDM4EHPGDNPC1TP53PPARG
SCHEMBL25307839 0.80 KDM4E (0.44) KDM4EHPGDRAB9ANPC1TP53
SCHEMBL7722459 0.80 HRH3 (0.46) KDM4EHPGDTP53PKMHRH3

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 5 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
CN-1260227-C 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-06-21 CN 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
CN-1413207-A 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 CN disclosed