SCHEMBL7306217

SCHEMBL7306217

N#Cc1ccc2[c]cccc2c1C#N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
PGR P06401 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
KMT2A Q03164 1/20 0.35
IMPDH2 P12268 3/20 0.33
IMPDH1 P20839 2/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL644339 0.77 CA1 (0.40) ARKDM4EALDH1A1GAAMAPT
SCHEMBL10774580 0.76 ALDH1A1 (0.42) ARKDM4EALDH1A1GAAMAPT
SCHEMBL2411016 0.72 CYP1A2 (0.32)
SCHEMBL10774473 0.72 CA1 (0.35) ARPGRKDM4EALDH1A1GAA
SCHEMBL7299622 0.72 PGR (0.30) ARPGR
SCHEMBL5746118 0.71 ALDH1A1 (0.43) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL250481 0.71 IMPDH2 (0.40) ARKDM4EALDH1A1GAAMAPT
SCHEMBL20690651 0.70 AR (0.42) ARPGRKDM4EALDH1A1GAA
SCHEMBL646163 0.68 CA1 (0.52) ARKDM4EALDH1A1GAAMAPT
SCHEMBL2412656 0.68 HPRT1 (0.33)

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
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
US-4650838-A OXIDATIVE, MECHANICAL AND THERMAL STABILITY ALLIED CORPORATION (US) 1987-03-17 US disclosed
US-4650839-A SELF-CROSSLINKING, OXIDATION AND HEAT RESISTANCE ALLIED CORPORATION (US) 1987-03-17 US disclosed