SCHEMBL5020635

SCHEMBL5020635

COc1cc(S(=O)(=O)Nc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)ccc1C

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.86
HDAC4 P56524 3/20 0.60
HDAC3 O15379 1/20 0.52
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
TUBA1C Q9BQE3 1/20 0.52
TUBB6 Q9BUF5 1/20 0.52

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
SCHEMBL15444490 0.93 HDAC1 (0.86) HDAC1HDAC4HDAC3TUBB4ATUBB
SCHEMBL5046592 0.93 HDAC1 (1.00) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL5020771 0.89 HDAC1 (0.79) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL5047260 0.87 HDAC1 (1.00) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL5047304 0.85 HDAC1 (1.00) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL14188338 0.85 HDAC1 (0.79) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL5048820 0.84 HDAC1 (1.00) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL6749952 0.84 HDAC1 (1.00) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL5020638 0.84 HDAC1 (1.00) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL628884 0.84 HDAC1 (1.00) HDAC1HDAC4HDAC3HDAC7HDAC2

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
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed