SCHEMBL3665822

SCHEMBL3665822

CCCc1ccc2oc(N(C=O)CCOc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1.CCc1ccc2oc(N(C=O)CCOc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.48
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
HDAC2 Q92769 7/20 0.43
HDAC3 O15379 5/20 0.43
NCOR1 O75376 2/20 0.43
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL3661124 0.98 HDAC1 (0.49) HDAC1SENP8SENP7SENP6HDAC2
SCHEMBL3665044 0.96 HDAC1 (0.49) HDAC1HDAC2HDAC3NCOR1HDAC4
SCHEMBL3664645 0.92 HDAC1 (0.49) HDAC1SENP8SENP7SENP6HDAC2
SCHEMBL3665249 0.92 HDAC1 (0.47) HDAC1SENP8SENP7SENP6HDAC2
SCHEMBL3660187 0.92 HDAC1 (0.46) HDAC1SENP8SENP7SENP6HDAC2
SCHEMBL3664648 0.92 HDAC1 (0.55) HDAC1SENP8SENP7SENP6HDAC2
SCHEMBL3661501 0.90 HDAC1 (0.54) HDAC1HDAC2HDAC3NCOR1HDAC4
SCHEMBL3663934 0.89 HDAC1 (0.47) HDAC1SENP8SENP7SENP6HDAC2
SCHEMBL3663809 0.89 HDAC1 (0.49) HDAC1HDAC2HDAC3NCOR1HDAC4
SCHEMBL3660937 0.89 HDAC1 (0.47) HDAC1HDAC2HDAC3NCOR1HDAC4

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-2220066-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS Gilead Colorado, Inc. (US) 2010-08-25 EP disclosed
WO-2009079391-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2009-06-25 WO disclosed