SCHEMBL793417

SCHEMBL793417

CC(C)(C)C(CN)NC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGS1 P23219 1/20 0.33
KDM4E B2RXH2 2/20 0.32
SLC7A5 Q01650 1/20 0.32
CPB2 Q96IY4 4/20 0.31
GSR P00390 1/20 0.31
FOLH1 Q04609 1/20 0.31
RNPEP Q9H4A4 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
PTGS2 P35354 1/20 0.30
THPO P40225 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL657408 0.83 GABRR1 (0.45) GABRR1MAPTALDH1A1PTGS1CPB2
Hydrochloric Acid SCHEMBL1026854 0.81 GABRR1 (0.43) GABRR1KDM4ECPB2GSRFOLH1
SCHEMBL793739 0.79 CPB2 (0.46) GABRR1ALDH1A1CPB2GSRFOLH1
SCHEMBL2400833 0.79 GSR (0.48) GABRR1CPB2GSRFOLH1RNPEP
SCHEMBL23855055 0.79 TGFBR1 (0.36) MAPTALDH1A1KDM4EFOLH1THRB
SCHEMBL394954 0.79 TGFBR1 (0.36) MAPTALDH1A1KDM4EFOLH1THRB
SCHEMBL3899245 0.77 GRN (0.31) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL4049397 0.77 MAPT (0.43) MAPTALDH1A1PTGS1KDM4ECPB2
SCHEMBL23855053 0.77 MAPT (0.43) MAPTALDH1A1PTGS1KDM4ECPB2
SCHEMBL1290540 0.77 ALDH1A1 (0.37) MAPTALDH1A1KDM4ETHRBALOX15

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699551-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS Glaxosmithkline LLC (US) 2014-02-26 EP disclosed
WO-2012143415-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-10-26 WO disclosed
WO-2012052390-A1 N-2-(2-PYRIDINYL)-4-PYRIMIDINYL-BETA-ALANINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE JMJD3 GLAXO GROUP LIMITED (GB) 2012-04-26 WO disclosed
WO-2012035055-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
EP-2282636-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2011-02-16 EP disclosed
WO-2010091721-A1 3 -SUBSTITUTED 1-ARYLSULFONYLPIPERIDINE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2010-08-19 WO disclosed
EP-2162455-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS Glaxo Group Limited (GB) 2010-03-17 EP disclosed
EP-2117523-A1 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2009-11-18 EP disclosed
WO-2009137391-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-12 WO disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
EP-1924572-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SmithKline Beecham Corporation (US) 2008-05-28 EP disclosed
WO-2008034860-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-03-27 WO disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
EP-1778231-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2006020415-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 WO disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed
WO-2004092181-A9 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-01-27 WO disclosed