SCHEMBL5372015

SCHEMBL5372015

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

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
SMN1; SMN2 Q16637 5/20 0.64
RAB9A P51151 3/20 0.64
NPC1 O15118 2/20 0.64
LMNA P02545 2/20 0.64
MAPT P10636 1/20 0.64
DUSP3 P51452 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.50
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.46
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
ENPP2 Q13822 1/20 0.45
PLK1 P53350 1/20 0.44
PTGES O14684 1/20 0.44
CYP19A1 P11511 1/20 0.43

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
SCHEMBL4825762 0.89 KMT2A (0.77) KMT2ASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5383037 0.87 GAA (0.68) KMT2ASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5383039 0.87 GAA (0.68) KMT2ASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5381943 0.84 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5381942 0.82 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5381994 0.82 KMT2A (0.44) KMT2ASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5381126 0.81 PTGDR2 (0.48) ALDH1A1PTGS1PTGS2
SCHEMBL5372207 0.81 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL7564649 0.80 MAOB (0.45) KMT2ASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5380946 0.79 CYP19A1 (0.44) KMT2AALDH1A1MEN1ENPP2CYP19A1

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