SCHEMBL7305067

SCHEMBL7305067

Nc1ccc2[c]c(N)c(N)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP3A4 P08684 3/20 0.38
CASP1 P29466 3/20 0.37
HIF1A Q16665 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 1/20 0.37
CASP7 P55210 1/20 0.37
HBB P68871 1/20 0.37
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
PLAU P00749 2/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
F2 P00734 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL731428 0.76 IDO1 (0.36) ALDH1A1HSD17B10CYP3A4CASP1HIF1A
SCHEMBL2255772 0.72 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP3A4CASP1HIF1A
SCHEMBL7748035 0.66 CASP1 (0.67) ALDH1A1HSD17B10CYP3A4CASP1HIF1A
SCHEMBL16161201 0.65 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP3A4CASP1HIF1A
SCHEMBL29236615 0.64 KMT2A (0.56) ALDH1A1HSD17B10CYP3A4CASP1KDM4E
SCHEMBL145891 0.64 ALDH1A1 (0.77) ALDH1A1HSD17B10CYP3A4CASP1HIF1A
SCHEMBL29367325 0.64 ALDH1A1 (0.77) ALDH1A1HSD17B10CYP3A4CASP1HIF1A
SCHEMBL202182 0.61 ALDH1A1 (0.72) ALDH1A1HSD17B10CYP3A4CASP1HIF1A
SCHEMBL29468144 0.61 ALDH1A1 (0.72) ALDH1A1HSD17B10CYP3A4CASP1HIF1A
Fluoride SCHEMBL27620141 0.61 ALDH1A1 (0.72) ALDH1A1HSD17B10CYP3A4CASP1HIF1A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1525968-A composition for preventing or treating liver disease 三共株式会社 2004-09-01 CN disclosed
EP-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
CN-1029405-C Lipid A analogs having immunoactivating and anti-tumor activity SANKYO CO (JP) 1995-08-02 CN disclosed
CN-1091432-A Can suppress the active peptide of hiv protease, its preparation with and medical use SANKYO CO (JP) 1994-08-31 CN disclosed
CN-1091128-A Piperidine derivative SANKYO CO (JP) 1994-08-24 CN disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
EP-0583971-A1 Piperidine derivatives SANKYO COMPANY LIMITED (JP) 1994-02-23 EP disclosed
CN-1064683-A New beta-amino-alpha-hydroxycarboxylic acids and uses thereof SANKYO CO (JP) 1992-09-23 CN disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
CN-1052481-A Lipoid category-A with immunocompetence and anti-tumor activity is like thing SANKYO CO (JP) 1991-06-26 CN disclosed