SCHEMBL5376898

SCHEMBL5376898

N#CCc1cnn(Cc2ccccc2)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GSK3B P49841 1/20 0.39
IDO1 P14902 3/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NR1H3 Q13133 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5393696 0.83 RECQL (0.49) RECQLTSHRSMN1; SMN2L3MBTL1GSK3B
SCHEMBL5381957 0.80 RECQL (0.46) RECQLTSHRSMN1; SMN2L3MBTL1IDO1
SCHEMBL31584432 0.78 PTGDR2 (0.44) RECQLTSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL5393595 0.77 ALDH1A1 (0.45) RECQLTSHRIDO1CYP19A1ALDH1A1
SCHEMBL11391949 0.76 ALDH1A1 (0.44) GSK3BALDH1A1LMNAHSD17B10KDM4E
SCHEMBL31276324 0.73 RECQL (0.49) RECQLTSHRSMN1; SMN2L3MBTL1IDO1
SCHEMBL4265247 0.73 TSHR (0.54) RECQLTSHRSMN1; SMN2L3MBTL1CYP19A1
SCHEMBL14858163 0.73 RECQL (0.49) RECQLTSHRSMN1; SMN2L3MBTL1GSK3B
SCHEMBL2225581 0.72 SLC16A3 (0.52) TSHRSMN1; SMN2IDO1CYP11B1CYP11B2
SCHEMBL11394495 0.70 NPSR1 (0.51) TSHRSMN1; SMN2ALDH1A1LMNAGAA

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 7 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
CN-1260227-C 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-06-21 CN 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
CN-1413207-A 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 CN 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