SCHEMBL27681820

SCHEMBL27681820

O=C(CCCCC[C@H](NS(=O)(=O)c1cccc(Br)c1)C(=O)NO)Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 11/20 0.51
▸ HDAC6 Q9UBN7 10/20 0.51
▸ HDAC1 Q13547 9/20 0.51
▸ HDAC2 Q92769 9/20 0.51
▸ HDAC3 O15379 8/20 0.51
▸ HDAC4 P56524 7/20 0.51
▸ HDAC7 Q8WUI4 6/20 0.51
▸ HDAC11 Q96DB2 6/20 0.51
▸ HDAC9 Q9UKV0 6/20 0.51
▸ HDAC5 Q9UQL6 6/20 0.51
▸ HDAC10 Q969S8 5/20 0.51
▸ MEF2D Q14814 1/20 0.48
▸ MMP2 P08253 2/20 0.48
▸ MMP9 P14780 2/20 0.48
▸ MMP14 P50281 2/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ MMP12 P39900 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ NCOR1 O75376 1/20 0.48

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
SCHEMBL13864815 0.93 HDAC4 (0.56) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL27662336 0.91 HDAC8 (0.58) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL27681827 0.89 HDAC8 (0.50) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL27662296 0.89 MMP2 (0.56) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL8270001 0.86 HDAC2 (0.50) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL27662302 0.86 HDAC8 (0.51) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL27662300 0.85 MMP9 (0.67) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL27681821 0.84 ALDH1A1 (0.63) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL28760853 0.84 MMP2 (0.55) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL27662293 0.84 BMP1 (0.56) HDAC8HDAC6HDAC1HDAC2HDAC3

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-1997625-A Histone deacetylase inhibitors MERCK & CO INC (US) 2007-07-11 — — CN claimed
CN-1997625-A Histone deacetylase inhibitors MERCK & CO INC (US) 2007-07-11 — — CN disclosed
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