SCHEMBL5380556

SCHEMBL5380556

O=Cc1cnn(Cc2ccccc2)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
RECQL P46063 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 2/20 0.41
IDO1 P14902 2/20 0.41
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GAA P10253 1/20 0.40
CASP3 P42574 1/20 0.40
NR1H3 Q13133 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL4831278 0.90 KMT2A (0.43) SMN1; SMN2RECQLNPC1RAB9ALMNA
SCHEMBL8886674 0.87 NPBWR1 (0.55) SMN1; SMN2LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL6596242 0.81 GAA (0.57) SMN1; SMN2RECQLNPC1RAB9ATSHR
SCHEMBL6596244 0.81 GAA (0.57) SMN1; SMN2RECQLNPC1RAB9ATSHR
SCHEMBL5377221 0.77 CYP19A1 (0.43) SMN1; SMN2RECQLNPC1RAB9ALMNA
SCHEMBL31276324 0.76 RECQL (0.49) SMN1; SMN2RECQLLMNAMAPTTSHR
SCHEMBL14858163 0.76 RECQL (0.49) SMN1; SMN2RECQLLMNAMAPTTSHR
SCHEMBL5393696 0.76 RECQL (0.49) SMN1; SMN2RECQLLMNAMAPTTSHR
SCHEMBL4265247 0.76 TSHR (0.54) SMN1; SMN2RECQLLMNAMAPTTSHR
SCHEMBL3493878 0.75 ALDH1A1 (0.54) RECQLTSHRL3MBTL1ALDH1A1CYP19A1

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