SCHEMBL5205406

SCHEMBL5205406

CCOC(=O)CCCN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1Nc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.46
NAMPT P43490 5/20 0.39
BRD4 O60885 1/20 0.39
CACNA1G O43497 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SDCBP O00560 1/20 0.35
SDC2 P34741 1/20 0.35
PPID Q08752 1/20 0.35
CTSK P43235 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL5208188 0.91 HDAC1 (0.51) HDAC1NAMPTBRD4CACNA1GMAPT
SCHEMBL7242557 0.78 HDAC1 (0.50) HDAC1NAMPTBRD4CACNA1GMAPT
SCHEMBL5201771 0.77 NAMPT (0.47) HDAC1NAMPTBRD4MAPTKDM4E
SCHEMBL5205929 0.77 PPARG (0.40) HDAC1BRD4MAPTALOX5
SCHEMBL7242751 0.76 BRD4 (0.42) HDAC1NAMPTBRD4MAPTKDM4E
SCHEMBL5207965 0.75 PPARG (0.40) HDAC1NAMPTMAPTALOX5
SCHEMBL5208601 0.75 PPARG (0.39) HDAC1NAMPTMAPTALOX5
SCHEMBL5204209 0.74 AKT1 (0.37) HDAC1KMT2ACTSKALOX5
SCHEMBL7241091 0.72 NAMPT (0.49) HDAC1NAMPTBRD4MAPTKDM4E
SCHEMBL5201675 0.72 PPARG (0.40) HDAC1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed