SCHEMBL6587082

SCHEMBL6587082

COC(=O)c1ccc(-c2cccc(CN(C)C)c2)cc1NC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.57
HDAC2 Q92769 5/20 0.57
HDAC3 O15379 1/20 0.57
KDM4E B2RXH2 4/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL2271167 0.85 KDM4E (0.64) HDAC1HDAC2HDAC3KDM4EMAPK1
SCHEMBL12369428 0.81 HDAC2 (0.72) HDAC1HDAC2KDM4EMAPK1HSD17B10
SCHEMBL12369429 0.79 KDM4E (0.60) HDAC1HDAC2HDAC3KDM4EMAPK1
SCHEMBL2273074 0.78 HDAC1 (0.52) HDAC1HDAC2HDAC3KDM4EMAPK1
SCHEMBL14428246 0.78 HDAC1 (0.57) HDAC1HDAC2HDAC3KDM4EMAPK1
SCHEMBL2273085 0.78 ACLY (0.60) HDAC1HDAC2HDAC3MAPK1LMNA
SCHEMBL12369435 0.78 HDAC2 (0.67) HDAC1HDAC2HDAC3KDM4EMAPK1
SCHEMBL1318407 0.77 HSD17B2 (0.54) HDAC1HDAC2HDAC3KDM4ESMN1; SMN2
SCHEMBL2274003 0.77 HDAC2 (0.66) HDAC2KDM4EMAPK1HSD17B10LMNA
SCHEMBL27696833 0.77 HDAC1 (0.46) HDAC1HDAC2HDAC3KDM4EMAPK1

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-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO disclosed