SCHEMBL7839638

SCHEMBL7839638

CC1(C)COC(c2ccc(C(F)(F)F)cc2CCc2cccc(Br)c2)=N1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MTOR P42345 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SLC6A4 P31645 1/20 0.34
TDO2 P48775 1/20 0.33
MAOB P27338 1/20 0.33
TAAR1 Q96RJ0 4/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL7845252 0.83 KDM4E (0.43) KDM4EHRH3MAOBTAAR1ATM
SCHEMBL9119960 0.77 KDM4E (0.39) KDM4EHRH3ATM
SCHEMBL20921262 0.77 KDM4E (0.41) KDM4EATM
SCHEMBL7840228 0.74 TAAR1 (0.49) KDM4EHRH3TAAR1ATM
SCHEMBL7842188 0.74 KDM4E (0.43) KDM4EATM
SCHEMBL7295534 0.73 KDM4E (0.38) KDM4EHRH3TAAR1
SCHEMBL6261909 0.73 KDM4E (0.40) KDM4EHRH3SLC6A4ATM
SCHEMBL8900483 0.73 ATM (0.46) KDM4EHRH3ATM
SCHEMBL7491866 0.73 KDM4E (0.41) KDM4EHRH3TAAR1ATM
SCHEMBL7488048 0.73 KDM4E (0.41) KDM4EHRH3TAAR1ATM

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-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