SCHEMBL30317751

SCHEMBL30317751

COc1ccc(CCn2c(=O)c3ccccc3n(Cc3ccc(C=CC(=O)NO)cc3)c2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 18/20 0.73
▸ HDAC6 Q9UBN7 17/20 0.73
▸ HDAC8 Q9BY41 15/20 0.73
▸ HDAC11 Q96DB2 12/20 0.73
▸ HDAC2 Q92769 9/20 0.59
▸ MELK Q14680 1/20 0.58
▸ MAPT P10636 1/20 0.56
▸ HDAC3 O15379 6/20 0.56
▸ HDAC4 P56524 4/20 0.56
▸ HDAC7 Q8WUI4 4/20 0.56
▸ HDAC10 Q969S8 4/20 0.56
▸ HDAC9 Q9UKV0 4/20 0.56
▸ HDAC5 Q9UQL6 4/20 0.56

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
SCHEMBL24031069 1.00 HDAC1 (0.73) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL24030751 0.90 HDAC6 (0.70) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL24030789 0.89 HDAC1 (0.59) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL24030736 0.89 HDAC6 (0.62) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL30317682 0.89 HDAC6 (0.71) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL24031086 0.89 HDAC6 (0.71) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL30317688 0.88 TP53 (0.62) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL24031017 0.88 TP53 (0.62) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL24031112 0.88 HDAC6 (0.72) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL24030795 0.85 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC11MELK

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-110621317-B Inhibitors of Histone Deacetylase (HDACS) 安基生技新药股份有限公司 2023-05-12 — — CN disclosed
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