SCHEMBL16806926

SCHEMBL16806926

CN(CCc1ccc2sccc2c1)Cc1ccc(/C=C/C(=O)NO)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 11/20 0.54
▸ HDAC3 O15379 10/20 0.54
▸ HDAC1 Q13547 12/20 0.48
▸ HDAC8 Q9BY41 9/20 0.48
▸ HDAC4 P56524 8/20 0.48
▸ HDAC2 Q92769 8/20 0.48
▸ HDAC5 Q9UQL6 8/20 0.48
▸ HDAC10 Q969S8 6/20 0.48
▸ HDAC7 Q8WUI4 6/20 0.48
▸ HDAC9 Q9UKV0 6/20 0.48
▸ HDAC11 Q96DB2 5/20 0.48
▸ MEF2D Q14814 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ BCHE P06276 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL16807225 0.93 HDAC6 (0.53) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL16806641 0.85 HDAC1 (0.66) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL16806627 0.81 HDAC6 (0.51) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL16806766 0.81 HDAC6 (0.51) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL16806798 0.80 HDAC2 (0.58) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL16806800 0.80 HDAC3 (0.53) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL16806795 0.79 HDAC1 (0.62) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL16806645 0.78 HDAC1 (0.62) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL16806935 0.78 HDAC6 (0.53) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL16806725 0.78 HDAC3 (0.53) HDAC6HDAC3HDAC1HDAC8HDAC4

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
WO-2015085860-A1 HETEROCYCLIC HYDROXAMIC ACID COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 广州康缔安生物科技有限公司 2015-06-18 — — WO disclosed
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