SCHEMBL5066596

SCHEMBL5066596

CC1CN(c2c(C=O)cc(-c3nncs3)c(F)c2F)CC(C)O1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
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
SCHEMBL5011042 0.83 KDM4E (0.34) HTTKDM4EALDH1A1
SCHEMBL5012158 0.83 KDM4E (0.34) HTTKDM4EALDH1A1
SCHEMBL5011046 0.83 KDM4E (0.34) HTTKDM4EALDH1A1
SCHEMBL5015623 0.80 KDM4E (0.37) HTTKDM4EMAPTHPGD
SCHEMBL5134705 0.80 KDM4E (0.34) HTTKDM4EALDH1A1HPGD
SCHEMBL5010975 0.80 KDM4E (0.33) HTTKDM4EALDH1A1
SCHEMBL5012206 0.80 KDM4E (0.33) HTTKDM4EALDH1A1
SCHEMBL5012744 0.80 KDM4E (0.33) HTTKDM4EALDH1A1
SCHEMBL5063593 0.80 KDM4E (0.33) HTTKDM4EALDH1A1
SCHEMBL5010977 0.80 KDM4E (0.33) HTTKDM4EALDH1A1

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-1888597-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
WO-2006120563-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-11-16 WO disclosed