SCHEMBL8349687

SCHEMBL8349687

COc1cc(NCc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2N)cc(OC)c1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 18/20 0.79
▸ HDAC4 P56524 6/20 0.63
▸ HDAC3 O15379 5/20 0.63
▸ HDAC7 Q8WUI4 5/20 0.63
▸ HDAC8 Q9BY41 5/20 0.63
▸ HDAC6 Q9UBN7 5/20 0.63
▸ HDAC2 Q92769 4/20 0.63
▸ HDAC10 Q969S8 4/20 0.63
▸ HDAC11 Q96DB2 4/20 0.63
▸ HDAC9 Q9UKV0 4/20 0.63
▸ HDAC5 Q9UQL6 4/20 0.63
▸ TUBB4A P04350 1/20 0.63
▸ TUBB P07437 1/20 0.63
▸ TUBA3C P0DPH7 1/20 0.63
▸ TUBA1B P68363 1/20 0.63
▸ TUBA4A P68366 1/20 0.63
▸ TUBB4B P68371 1/20 0.63
▸ TUBB3 Q13509 1/20 0.63
▸ TUBB2A Q13885 1/20 0.63
▸ TUBB8 Q3ZCM7 1/20 0.63

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
SCHEMBL1063052 1.00 HDAC1 (0.79) HDAC1HDAC4HDAC3HDAC7HDAC8
SCHEMBL1063054 1.00 HDAC1 (0.79) HDAC1HDAC4HDAC3HDAC7HDAC8
SCHEMBL1063555 0.94 HDAC1 (0.79) HDAC1HDAC4HDAC3HDAC7HDAC8
SCHEMBL1063554 0.94 HDAC1 (0.79) HDAC1HDAC4HDAC3HDAC7HDAC8
SCHEMBL8347713 0.94 HDAC1 (0.79) HDAC1HDAC4HDAC3HDAC7HDAC8
SCHEMBL8347895 0.93 HDAC1 (0.68) HDAC1HDAC4HDAC3HDAC7HDAC8
SCHEMBL1063533 0.89 HDAC1 (0.72) HDAC1HDAC4HDAC3HDAC7HDAC8
SCHEMBL1063532 0.89 HDAC1 (0.72) HDAC1HDAC4HDAC3HDAC7HDAC8
SCHEMBL12934288 0.89 HDAC1 (0.72) HDAC1HDAC4HDAC3HDAC7HDAC8
SCHEMBL1064008 0.89 HDAC1 (1.00) HDAC1HDAC4HDAC3HDAC7HDAC8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 — — US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 — — US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 — — US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 — — US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 — — WO disclosed
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