SCHEMBL28085707

SCHEMBL28085707

Cc1cc(C)cc(N(c2ccccc2)c2ncc(C(=O)NCCCCCCC(=O)NO)cn2)c1

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.84
HDAC1 Q13547 3/20 0.84
HDAC3 O15379 2/20 0.84
HDAC7 Q8WUI4 2/20 0.84
HDAC2 Q92769 2/20 0.84
HDAC8 Q9BY41 2/20 0.84
HDAC4 P56524 1/20 0.84
HDAC10 Q969S8 1/20 0.84
HDAC5 Q9UQL6 1/20 0.84
NCOR2 Q9Y618 1/20 0.84

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
SCHEMBL21943234 0.93 HDAC6 (0.83) HDAC6HDAC1HDAC3HDAC7HDAC2
Ricolinostat SCHEMBL574580 0.92 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL21707466 0.91 HDAC6 (0.98) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL2226158 0.87 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL2225424 0.86 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL10050271 0.84 HDAC6 (0.81) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL2225248 0.83 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL26079021 0.83 HDAC6 (0.79) HDAC6HDAC1HDAC3HDAC7HDAC2
Citarinostat SCHEMBL2225863 0.83 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC7HDAC2
Citarinostat SCHEMBL29882816 0.83 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC7HDAC2

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
CN-105753739-A Reverse Amide Compounds As Protein Deacetylase Inhibitors And Methods Of Use Thereof 埃斯泰隆制药公司 2016-07-13 CN claimed
CN-105727298-A REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF 埃斯泰隆制药公司 2016-07-06 CN disclosed