SCHEMBL6022121

SCHEMBL6022121

CCCCCCCCCCCCNC(=O)c1cc(Br)c(CC(NC(=O)C(=O)O)c2cccc(OC(F)(F)F)c2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.43
NAMPT P43490 1/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 2/20 0.42
NAAA Q02083 1/20 0.40
DDR1 Q08345 1/20 0.39
MLYCD O95822 1/20 0.39
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGB5 P18084 1/20 0.37
ITGB6 P18564 1/20 0.37
MAPK14 Q16539 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL5045752 0.88 EPHX2 (0.42) GPR139DDR1MAPK14HPGDTRPV1
SCHEMBL5039508 0.85 ROCK2 (0.44) GPR139NAMPTHDAC1HDAC3NAAA
SCHEMBL5047987 0.83 PTGS2 (0.41) HDAC1NAAAPTGS2MEN1LMNA
SCHEMBL5044228 0.80 NAMPT (0.46) GPR139NAMPTHDAC1HDAC3NAAA
SCHEMBL5047681 0.80 DDR1 (0.43) GPR139DDR1MAPK14LMNAHPGD
SCHEMBL5045260 0.79 NAMPT (0.46) NAMPTHDAC1HDAC3NAAADDR1
SCHEMBL6022126 0.79 ALDH1A1 (0.46) GPR139NAMPTHDAC1HDAC3NAAA
SCHEMBL5045263 0.77 MAPK14 (0.48) NAMPTHDAC1HDAC3NAAADDR1
SCHEMBL1851514 0.77 NAMPT (0.43) NAMPTHDAC1HDAC3NAAADDR1
SCHEMBL1853396 0.75 MLYCD (0.47) GPR139NAAAMLYCDLMNAGCGR

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-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO claimed