SCHEMBL747792

SCHEMBL747792

Cc1c(Br)cccc1NCc1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.65
HDAC2 Q92769 7/20 0.65
HDAC3 O15379 4/20 0.65
NCOR2 Q9Y618 2/20 0.65
HDAC6 Q9UBN7 3/20 0.60
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57

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
SCHEMBL447907 0.85 HDAC2 (0.69) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL743216 0.84 HDAC1 (0.65) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL744328 0.80 ALDH1A1 (0.58) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1060512 0.79 HDAC1 (0.67) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1063448 0.79 HDAC1 (0.75) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1063625 0.79 HDAC1 (0.74) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL8279067 0.79 HDAC1 (0.71) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1064069 0.78 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1064870 0.78 HDAC1 (0.68) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1064771 0.78 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC6

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-2429987-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-03-21 EP disclosed
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 WO disclosed