SCHEMBL2362869

SCHEMBL2362869

CC(C)(C(=O)Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2N)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.54
HDAC3 O15379 2/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
NCOR2 Q9Y618 1/20 0.51
NPY2R P49146 4/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NR3C2 P08235 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.39
ABCC9 O60706 2/20 0.38

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
SCHEMBL676042 0.75 HDAC1 (0.75) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28465548 0.74 HDAC3 (0.75) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10055041 0.73 ALDH1A1 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4965466 0.72 HDAC3 (0.71) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL673402 0.71 HDAC6 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5611501 0.70 CYP1A2 (0.46) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7832010 0.69 HDAC3 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7835891 0.67 HDAC3 (0.63) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL22185077 0.67 HDAC3 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28992363 0.66 NR1H4 (0.51) HDAC1MEN1KMT2ANR3C2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011103563-A1 METHODS AND COMPOSITIONS FOR INHIBITING AND PREVENTING THE GROWTH OF MALIGNANT MAST CELLS ARNO THERAPEUTICS, INC (US) 2011-08-25 WO disclosed