SCHEMBL5385608

SCHEMBL5385608

CCOC(=O)c1cn(Cc2ccc(O)cc2)nc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KMT2A Q03164 2/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KLKB1 P03952 1/20 0.51
KLK1 P06870 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 1/20 0.49
TEAD2 Q15562 1/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL3493198 0.94 KMT2A (0.58) MAPK1NPSR1KMT2ACA12CA9
SCHEMBL5377556 0.89 KMT2A (0.52) MAPK1NPSR1KMT2ACA12CA9
SCHEMBL4834086 0.86 MAPK1 (0.52) MAPK1NPSR1KMT2ACA12CA9
SCHEMBL20027638 0.85 MAPK1 (0.60) MAPK1NPSR1KMT2ACA12CA9
SCHEMBL16246850 0.85 KMT2A (0.49) MAPK1NPSR1KMT2ACA12CA9
SCHEMBL5380988 0.83 MMP13 (0.49) MAPK1NPSR1KMT2ANPC1RAB9A
SCHEMBL10988922 0.82 MAPK1 (0.63) MAPK1NPSR1KMT2ACA12CA9
SCHEMBL4852276 0.81 ALDH1A1 (0.59) MAPK1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5383041 0.80 HDAC1 (0.53) KMT2ANPC1RAB9AALDH1A1LMNA
SCHEMBL22897233 0.79 MAPK1 (0.54) MAPK1NPSR1KMT2ACA12CA9

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