SCHEMBL6593156

SCHEMBL6593156

O=C(O)/C=C/c1cn(Cc2ccc(OCc3ccccc3)cc2)nc1OCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.54
PKM P14618 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
PTGER3 P43115 2/20 0.50
PTGDR Q13258 1/20 0.50
GSK3B P49841 1/20 0.48
BACE1 P56817 1/20 0.48
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER2 P43116 1/20 0.47
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
ATM Q13315 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
S1PR5 Q9H228 1/20 0.45

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
SCHEMBL6593163 1.00 GAA (0.58) GAASMN1; SMN2PKMMEN1KMT2A
SCHEMBL5407247 0.94 GAA (0.64) GAASMN1; SMN2PKMMEN1KMT2A
SCHEMBL5407245 0.94 GAA (0.64) GAASMN1; SMN2PKMMEN1KMT2A
SCHEMBL5376871 0.88 PTGDR2 (0.47) GAASMN1; SMN2PKMMEN1KMT2A
SCHEMBL5376722 0.87 GAA (0.79) GAASMN1; SMN2PKMMEN1KMT2A
SCHEMBL5376726 0.87 GAA (0.79) GAASMN1; SMN2PKMMEN1KMT2A
SCHEMBL5372207 0.85 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6591750 0.85 FFAR1 (0.55) GAASMN1; SMN2MEN1KMT2A
SCHEMBL6591759 0.85 FFAR1 (0.55) GAASMN1; SMN2MEN1KMT2A
SCHEMBL5383039 0.83 GAA (0.68) GAASMN1; SMN2PKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed