SCHEMBL5011006

SCHEMBL5011006

CC1CN(c2c(F)cc(Br)cc2CO)CC(C)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 2/20 0.35
ALDH1A1 P00352 7/20 0.33
NPSR1 Q6W5P4 3/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
PIK3R1 P27986 1/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PIK3CD O00329 1/20 0.32
KCNH2 Q12809 1/20 0.32
RICTOR Q6R327 1/20 0.32
RPTOR Q8N122 1/20 0.32
MAPKAP1 Q9BPZ7 1/20 0.32
MLST8 Q9BVC4 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL25926613 0.80 KDM4E (0.42) KDM4EHTTTSHRALDH1A1NPSR1
SCHEMBL3701211 0.78 ALDH1A1 (0.37) KDM4EHTTTSHRALDH1A1NPSR1
SCHEMBL4505828 0.75 HTT (0.39) KDM4EHTTTSHRALDH1A1GAA
SCHEMBL2306361 0.74 KDM4E (0.40) KDM4EHTTTSHRALDH1A1NPSR1
SCHEMBL3751398 0.74 KDM4E (0.40) KDM4EHTTTSHRALDH1A1NPSR1
SCHEMBL2357083 0.74 KDM4E (0.40) KDM4EHTTTSHRALDH1A1NPSR1
SCHEMBL12703966 0.74 KDM4E (0.38) KDM4EHTTTSHRALDH1A1HSD17B10
SCHEMBL4506686 0.74 KDM4E (0.38) KDM4EHTTTSHRALDH1A1HSD17B10
SCHEMBL5054243 0.72 ALDH1A1 (0.33) KDM4EHTTTSHRALDH1A1NPSR1
SCHEMBL2310406 0.72 KDM4E (0.42) KDM4EHTTTSHRALDH1A1TDP1

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