SCHEMBL7845252

SCHEMBL7845252

CC1(C)COC(c2ccccc2CCc2cccc(Br)c2)=N1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
TAAR1 Q96RJ0 4/20 0.38
MAOB P27338 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6261909 0.84 KDM4E (0.40) KDM4EHRH3ALDH1A1HTTATM
SCHEMBL7839638 0.83 KDM4E (0.37) KDM4EHRH3ATMTAAR1MAOB
SCHEMBL11493291 0.78 KDM4E (0.48) KDM4EHRH3ALDH1A1HTTATM
SCHEMBL9791278 0.78 KDM4E (0.44) KDM4EHRH3ALDH1A1HTTATM
SCHEMBL9484239 0.77 KDM4E (0.43) KDM4EHRH3ALDH1A1HTTATM
SCHEMBL7840228 0.76 TAAR1 (0.49) KDM4EHRH3ALDH1A1HTTATM
SCHEMBL16508608 0.74 KDM4E (0.51) KDM4EHRH3ALDH1A1HTTATM
SCHEMBL8900483 0.74 ATM (0.46) KDM4EHRH3ALDH1A1HTTATM
SCHEMBL7488048 0.74 KDM4E (0.41) KDM4EHRH3ALDH1A1HTTATM
SCHEMBL7491866 0.74 KDM4E (0.41) KDM4EHRH3ALDH1A1HTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984963-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-04-11 EP disclosed
US-6162808-A Compounds ASTRAZENECA U.K. LIMITED (GB) 2000-12-19 US disclosed
EP-0984963-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-03-15 EP disclosed
WO-1998054180-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-12-03 WO disclosed