SCHEMBL4553104

SCHEMBL4553104

NC(=O)c1ccc(OCCNC(=O)c2oc3ccccc3c2COc2ccc(-n3ccnc3)cc2)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
GAA P10253 1/20 0.42
NPY1R P25929 1/20 0.40

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
SCHEMBL444837 0.85 HDAC3 (0.61) LMNAL3MBTL1HTTKDM4EMAPT
SCHEMBL4252221 0.83 HDAC3 (0.53) LMNAL3MBTL1HTTKDM4EMAPT
SCHEMBL14784754 0.79 HDAC3 (0.50) LMNAL3MBTL1HTTKDM4EMAPT
SCHEMBL15201878 0.79 HDAC3 (0.50) LMNAL3MBTL1HTTKDM4EMAPT
SCHEMBL15201764 0.79 HDAC3 (0.47) LMNAL3MBTL1HTTKDM4EMAPT
SCHEMBL14784273 0.78 HDAC3 (0.67) LMNAL3MBTL1HTTKDM4EMAPT
SCHEMBL4032910 0.78 HDAC3 (0.49) LMNAL3MBTL1HTTKDM4EMAPT
SCHEMBL4039080 0.77 HDAC3 (0.50) LMNAL3MBTL1HTTKDM4EMAPT
SCHEMBL4202598 0.76 HDAC3 (0.47) LMNAL3MBTL1HTTKDM4EMAPT
Dimethylamine SCHEMBL14784274 0.76 NPC1 (0.50) LMNAL3MBTL1KDM4EMAPTHDAC3

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-2099442-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2009-09-16 EP disclosed
WO-2008082856-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2008-07-10 WO disclosed