SCHEMBL3232136

SCHEMBL3232136

NC(=O)C(CCCCC(=O)Nc1ccc(F)cc1)c1cc(-c2ccccc2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.54
HDAC3 O15379 12/20 0.54
HDAC6 Q9UBN7 13/20 0.47
HDAC2 Q92769 12/20 0.47
HDAC8 Q9BY41 9/20 0.47
HDAC4 P56524 8/20 0.47
HDAC7 Q8WUI4 8/20 0.47
HDAC10 Q969S8 8/20 0.47
HDAC11 Q96DB2 8/20 0.47
HDAC9 Q9UKV0 8/20 0.47
HDAC5 Q9UQL6 8/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FOLH1 Q04609 1/20 0.43
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL3241863 0.92 HDAC1 (0.52) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL3236766 0.86 KMT2A (0.44) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL3232140 0.80 HDAC1 (0.84) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL1063952 0.79 HDAC1 (0.58) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL1060811 0.78 HDAC1 (0.60) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL3241868 0.78 HDAC1 (0.69) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL1066979 0.78 HDAC1 (0.58) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL3238553 0.77 HDAC1 (0.44) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL16011052 0.76 HDAC4 (0.60) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL3234097 0.76 HDAC1 (0.48) HDAC1HDAC3HDAC6HDAC2HDAC8

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-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 WO claimed