SCHEMBL7304055

SCHEMBL7304055

N#Cc1ccc2[c]c(C#N)c(C#N)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
CYP2A6 P11509 1/20 0.37
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CYP19A1 P11511 1/20 0.32
GPR35 Q9HC97 1/20 0.32
CYP17A1 P05093 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
LOXL2 Q9Y4K0 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
SCHEMBL3525889 0.78 CA1 (0.43) CYP2A6CA1CA2
SCHEMBL21798555 0.75 CA1 (0.44) CYP2A6CA1CA2
SCHEMBL5748847 0.73 CA1 (0.47) IMPDH2IMPDH1CYP2A6CA1CA2
SCHEMBL4947557 0.70 IMPDH2 (0.39) IMPDH2IMPDH1CYP2A6CA1CA2
SCHEMBL28274538 0.70 IMPDH2 (0.50) IMPDH2IMPDH1CYP2A6CA1CA2
SCHEMBL29489119 0.66 CYP2A6 (0.54) IMPDH2IMPDH1CYP2A6CA1CA2
SCHEMBL1344485 0.66 CYP2A6 (0.54) IMPDH2IMPDH1CYP2A6CA1CA2
SCHEMBL1341822 0.64 CYP2A6 (0.52) IMPDH2IMPDH1CYP2A6CA1CA2
SCHEMBL29489123 0.64 CYP2A6 (0.52) IMPDH2IMPDH1CYP2A6CA1CA2
SCHEMBL3027684 0.63 IMPDH2 (0.42) IMPDH2IMPDH1CYP2A6CA1CA2

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 17 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
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