SCHEMBL5226984

SCHEMBL5226984

NC(=O)Oc1ccccc1NC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC1 Q13547 2/20 0.54
CCR5 P51681 1/20 0.47
BCHE P06276 5/20 0.47
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MAPT P10636 1/20 0.44
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5224342 0.85 HDAC1 (0.70) HDAC3HDAC2HDAC1BCHEHDAC4
SCHEMBL5225324 0.85 HDAC3 (0.57) HDAC3HDAC2HDAC1CCR5BCHE
SCHEMBL6346948 0.77 HDAC3 (0.49) HDAC3HDAC2HDAC1CCR5BCHE
SCHEMBL28350179 0.74 KMT2A (0.53) HDAC3HDAC2HDAC1HDAC4HDAC7
SCHEMBL5224592 0.72 HDAC1 (0.72) HDAC3HDAC2HDAC1HDAC4HDAC7
SCHEMBL5224146 0.70 HDAC3 (0.59) HDAC3HDAC2HDAC1HDAC4HDAC7
SCHEMBL6587418 0.69 AURKB (0.77) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL27739911 0.69 OPRM1 (0.71) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL28350182 0.69 SMN1; SMN2 (0.55) HDAC3HDAC2HDAC1CCR5HDAC4
SCHEMBL4413158 0.68 HDAC1 (0.52) HDAC3HDAC2HDAC1HDAC10HDAC8

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
EP-1501508-B1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2007-02-21 EP disclosed
EP-1501508-A1 INHIBITORS OF HISTONE DEACETYLASE Astrazeneca AB (SE) 2005-02-02 EP disclosed
WO-2003092686-A1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2003-11-13 WO disclosed