SCHEMBL4587067

SCHEMBL4587067

CCC1(Br)C=Cc2ccccc2N1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NOS2 P35228 1/20 0.35
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 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
SCHEMBL7159138 0.78 MAPT (0.45) GAAMAPTNOS2HTTKDM4E
SCHEMBL1726909 0.72 GAA (0.46) GAAMAPTNOS2KDM4EHPGD
SCHEMBL29789697 0.71 MAPT (0.50) GAAMAPTNOS2KDM4EHPGD
SCHEMBL2255782 0.71 MAPT (0.50) GAAMAPTNOS2KDM4EHPGD
SCHEMBL11026821 0.69 GAA (0.43) GAAMAPTKDM4EHPGD
SCHEMBL6607968 0.68 GAA (0.46) GAAMAPTNOS2KDM4EHPGD
SCHEMBL21145451 0.68 GAA (0.46) GAAMAPTNOS2KDM4EHPGD
SCHEMBL1285713 0.68 MAPT (0.46) GAAMAPTNOS2HTTKDM4E
SCHEMBL4389562 0.68 GAA (0.42) GAAMAPT
SCHEMBL7597347 0.67 GAA (0.37) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO disclosed