SCHEMBL7305939

SCHEMBL7305939

Nc1c[c]c2cccc(N)c2c1N

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CD44 P16070 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIK3CA P42336 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7307360 0.67
SCHEMBL1582843 0.65 ALDH1A1 (0.35) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL152947 0.64 ALDH1A1 (0.38) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL2411872 0.62 ALDH1A1 (0.43) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL7752251 0.61 ALDH1A1 (0.48) CYP3A4TSHRALDH1A1CD44HPGD
SCHEMBL94635 0.60
SCHEMBL30565110 0.59 ALDH1A1 (0.65) CYP3A4TSHRALDH1A1CD44HPGD
SCHEMBL29788293 0.59 ALDH1A1 (0.65) CYP3A4TSHRALDH1A1CD44HPGD
SCHEMBL65699 0.59 JAK2 (0.54) CYP3A4TSHRALDH1A1CD44HPGD
SCHEMBL29349435 0.59 JAK2 (0.54) CYP3A4TSHRALDH1A1CD44HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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