SCHEMBL5376722

SCHEMBL5376722

O=C(O)/C=C/c1cn(Cc2ccc(OCc3ccccc3)cc2)nc1-c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.79
SMN1; SMN2 Q16637 4/20 0.70
PKM P14618 1/20 0.69
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ATM Q13315 1/20 0.62
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
PTGS1 P23219 2/20 0.57
PTGS2 P35354 2/20 0.57
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PTGER3 P43115 2/20 0.48
PTGDR Q13258 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.47
PLK1 P53350 1/20 0.47
BACE1 P56817 2/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL5376726 1.00 GAA (0.79) GAASMN1; SMN2PKMMEN1KMT2A
SCHEMBL5383037 0.93 GAA (0.68) GAASMN1; SMN2PKMMEN1KMT2A
SCHEMBL5383039 0.93 GAA (0.68) GAASMN1; SMN2PKMMEN1KMT2A
SCHEMBL5397126 0.88 GAA (0.61) GAASMN1; SMN2PKMMEN1KMT2A
SCHEMBL6593163 0.87 GAA (0.58) GAASMN1; SMN2PKMMEN1KMT2A
SCHEMBL6593156 0.87 GAA (0.58) GAASMN1; SMN2PKMMEN1KMT2A
SCHEMBL5381942 0.82 SMN1; SMN2 (0.58) GAASMN1; SMN2PKMMEN1KMT2A
SCHEMBL5397128 0.82 GAA (0.52) GAASMN1; SMN2PKMMEN1KMT2A
SCHEMBL5378962 0.81 KMT2A (0.64) GAAPKMKMT2AALDH1A1PTGS1
SCHEMBL4825915 0.81 GAA (0.84) 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 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
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