SCHEMBL13786403

SCHEMBL13786403

C=C(CCCCCCC(=O)NO)NCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ HDAC1 Q13547 12/20 0.64
▸ HDAC8 Q9BY41 10/20 0.64
▸ HDAC2 Q92769 7/20 0.64
▸ HDAC3 O15379 6/20 0.64
▸ NCOR2 Q9Y618 5/20 0.64
▸ ALOX5 P09917 1/20 0.62
▸ HDAC6 Q9UBN7 4/20 0.60
▸ HDAC11 Q96DB2 3/20 0.60
▸ HDAC10 Q969S8 2/20 0.60
▸ GAA P10253 1/20 0.58
▸ EPHX2 P34913 1/20 0.57
▸ HDAC5 Q9UQL6 3/20 0.57
▸ HDAC4 P56524 2/20 0.54
▸ HDAC7 Q8WUI4 2/20 0.54
▸ HDAC9 Q9UKV0 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ BRD4 O60885 1/20 0.54
▸ NCOR1 O75376 1/20 0.54

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
SCHEMBL8082660 0.87 MEN1 (0.86) MEN1KMT2AHDAC1HDAC8HDAC2
SCHEMBL17480780 0.80 HDAC1 (0.78) HDAC1HDAC8HDAC2HDAC3NCOR2
SCHEMBL13159743 0.78 MMP8 (0.62) MEN1KMT2AHDAC1HDAC8HDAC2
SCHEMBL2942358 0.78 MEN1 (0.96) MEN1KMT2AGAAEPHX2CYP3A4
SCHEMBL8285463 0.77 HDAC1 (0.64) MEN1KMT2AHDAC1HDAC8HDAC2
SCHEMBL13965275 0.77 MEN1 (0.63) MEN1KMT2AHDAC1HDAC8HDAC2
SCHEMBL8286916 0.77 HDAC1 (0.64) MEN1KMT2AHDAC1HDAC8HDAC2
SCHEMBL3999895 0.77 HDAC1 (0.68) MEN1KMT2AHDAC1HDAC8HDAC2
SCHEMBL3994291 0.77 HDAC1 (0.68) MEN1KMT2AHDAC1HDAC8HDAC2
SCHEMBL5807174 0.77 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC3NCOR2

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
EP-2083005-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2009-07-29 — — EP disclosed
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