SCHEMBL5383039

SCHEMBL5383039

O=C(O)C=Cc1cn(Cc2ccc(OCc3ccccc3)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.67
PKM P14618 1/20 0.66
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
PTGS1 P23219 2/20 0.55
PTGS2 P35354 2/20 0.55
MAPT P10636 2/20 0.55
ATM Q13315 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
MAOB P27338 1/20 0.47
PTGER3 P43115 2/20 0.45
PTGDR Q13258 1/20 0.45
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER2 P43116 1/20 0.44

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
SCHEMBL5383037 1.00 GAA (0.68) GAASMN1; SMN2PKMKMT2AMEN1
SCHEMBL5376722 0.93 GAA (0.79) GAASMN1; SMN2PKMKMT2AMEN1
SCHEMBL5376726 0.93 GAA (0.79) GAASMN1; SMN2PKMKMT2AMEN1
SCHEMBL4825908 0.90 GAA (0.84) GAASMN1; SMN2PKMKMT2AMEN1
SCHEMBL4825915 0.90 GAA (0.84) GAASMN1; SMN2PKMKMT2AMEN1
SCHEMBL5381942 0.89 SMN1; SMN2 (0.58) GAASMN1; SMN2PKMKMT2AMEN1
SCHEMBL5372015 0.87 KMT2A (0.65) GAASMN1; SMN2PKMKMT2AMEN1
SCHEMBL5381943 0.83 SMN1; SMN2 (0.50) GAASMN1; SMN2PKMKMT2AMEN1
SCHEMBL6593156 0.83 GAA (0.58) GAASMN1; SMN2PKMKMT2AMEN1
SCHEMBL6593163 0.83 GAA (0.58) GAASMN1; SMN2PKMKMT2AMEN1

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