SCHEMBL28440243

SCHEMBL28440243

C=C(C(=O)NO)c1ccc(CN2c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.72
HDAC1 Q13547 11/20 0.72
HDAC3 O15379 9/20 0.72
HDAC8 Q9BY41 9/20 0.72
HDAC4 P56524 8/20 0.72
HDAC7 Q8WUI4 8/20 0.72
HDAC2 Q92769 8/20 0.72
HDAC10 Q969S8 8/20 0.72
HDAC11 Q96DB2 8/20 0.72
HDAC9 Q9UKV0 8/20 0.72
HDAC5 Q9UQL6 8/20 0.72

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
SCHEMBL22855795 0.84 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL21449136 0.77 HDAC6 (0.69) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL12892562 0.77 HDAC6 (0.66) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL30285347 0.73 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL1370561 0.73 HDAC6 (0.74) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL28431743 0.73 HDAC6 (0.67) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL22855796 0.72 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL3692906 0.72 HDAC6 (0.59) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL30307018 0.72 HDAC6 (0.59) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL21449098 0.71 HDAC6 (0.77) HDAC6HDAC1HDAC3HDAC8HDAC4

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
CN-109020921-B Histone deacetylase HDAC6 inhibitor and preparation method and application thereof 山东大学 2020-08-04 CN disclosed