SCHEMBL5380841

SCHEMBL5380841

CCOC(=O)Cc1c[nH]nc1OCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
LMNA P02545 1/20 0.40
DPP4 P27487 2/20 0.39
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.38
TBXAS1 P24557 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5111772 0.84 CYP4F2 (0.48) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL6035557 0.83 THRB (0.39) KMT2AHSD17B10MEN1
Hydrochloric Acid SCHEMBL480016 0.77 KMT2A (0.46) KMT2ATDP1PKMCA12CA1
SCHEMBL17050947 0.75 KMT2A (0.43) KMT2ATDP1PKMCA12CA1
SCHEMBL3261638 0.73 TSHR (0.52) KMT2AALDH1A1LMNAHSD17B10MEN1
SCHEMBL5381820 0.73 LMNA (0.54) KMT2ATDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL7588663 0.71 PPARG (0.37) TDP1LMNA
SCHEMBL6036366 0.70 CYP4F2 (0.49) TDP1SMN1; SMN2ALDH1A1LMNAHSD17B10
SCHEMBL3263726 0.69 TSHR (0.42) KMT2ASMN1; SMN2ALDH1A1LMNAHSD17B10
SCHEMBL689390 0.69 CA12 (0.57) KMT2ATDP1PKMCA12CA1

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