SCHEMBL7296743

SCHEMBL7296743

N#Cc1c[c]c2c(C#N)cccc2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
HTT P42858 1/20 0.35
HPGDS O60760 1/20 0.33
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 2/20 0.31
SLC6A4 P31645 2/20 0.31
MCL1 Q07820 1/20 0.31
ENPP2 Q13822 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL645878 0.73 CA1 (0.41) CA1CA2HTTKDM4EALDH1A1
SCHEMBL643635 0.72 CA1 (0.42) CA1CA2HPGDSIMPDH2IMPDH1
SCHEMBL5749242 0.69 CA1 (0.40) CA1CA2HPGDSIMPDH2IMPDH1
SCHEMBL29489126 0.68 CA1 (0.55) CA1CA2HTTIMPDH2IMPDH1
SCHEMBL818900 0.68 CA1 (0.55) CA1CA2HTTIMPDH2IMPDH1
SCHEMBL5749158 0.68 CA1 (0.41) CA1CA2HTTKDM4EALDH1A1
SCHEMBL28055060 0.67 TRPV4 (0.33)
SCHEMBL7305336 0.66 CA1 (0.42) CA1CA2HTTHPGDSIMPDH2
SCHEMBL746553 0.65 VCAM1 (0.30)
SCHEMBL29353313 0.64 HPGDS (0.62) CA1CA2HTTHPGDSTSHR

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-1070487-C Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2001-09-05 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