SCHEMBL4765029

SCHEMBL4765029

BrB(Br)Br.N#CCc1cc(O)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP3 P08254 1/20 0.37
ENPP2 Q13822 1/20 0.35
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HCAR1 Q9BXC0 1/20 0.32
IDO1 P14902 1/20 0.31
ACHE P22303 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL585527 0.93 KDM4E (0.41) KDM4ETDP1MMP3ENPP2MAPT
Bromide SCHEMBL4765026 0.89 KDM4E (0.39) KDM4ETDP1MMP3ENPP2MAPT
SCHEMBL1050898 0.78 ACHE (0.48) KDM4ETDP1MMP3ENPP2ACHE
SCHEMBL8658364 0.78 KDM4E (0.48) KDM4ETDP1MMP3ENPP2MAPT
SCHEMBL502201 0.78 KDM4E (0.48) KDM4ETDP1MMP3ENPP2MAPT
SCHEMBL4433177 0.73 KDM4E (0.41) KDM4ETDP1MMP3ENPP2MAPT
SCHEMBL18860546 0.70 HCAR1 (0.40) MAPTHCAR1IDO1ACHEMEN1
SCHEMBL25170271 0.69 CA12 (0.48) KDM4ETDP1MMP3ENPP2HCAR1
SCHEMBL1072135 0.69 KDM4E (0.41) KDM4ETDP1ENPP2MAPTNPC1
SCHEMBL334575 0.69 KDM4E (0.41) KDM4ETDP1MMP3ENPP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO disclosed