SCHEMBL30317704

SCHEMBL30317704

NC(=O)c1ccc(Cn2c(=O)n(CCc3cccc(C(F)(F)F)c3)c(=O)c3ccccc32)cc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 17/20 0.80
▸ HDAC1 Q13547 16/20 0.80
▸ HDAC8 Q9BY41 15/20 0.80
▸ HDAC11 Q96DB2 12/20 0.64
▸ MELK Q14680 1/20 0.57
▸ MAPT P10636 2/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53

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
SCHEMBL24031120 0.89 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC11MELK
SCHEMBL24247607 0.86 HDAC1 (0.73) HDAC6HDAC1HDAC8HDAC11MELK
SCHEMBL24030777 0.86 HDAC6 (0.78) HDAC6HDAC1HDAC8HDAC11MELK
SCHEMBL30317732 0.86 HDAC6 (0.76) HDAC6HDAC1HDAC8HDAC11MELK
SCHEMBL30317680 0.86 HDAC6 (0.81) HDAC6HDAC1HDAC8HDAC11MELK
SCHEMBL24031223 0.82 HDAC6 (0.75) HDAC6HDAC1HDAC8HDAC11MELK
SCHEMBL24031435 0.82 HDAC6 (0.71) HDAC6HDAC1HDAC8HDAC11MELK
SCHEMBL24030765 0.82 HDAC6 (0.88) HDAC6HDAC1HDAC8HDAC11MELK
SCHEMBL24031172 0.81 HDAC6 (0.70) HDAC6HDAC1HDAC8HDAC11MELK
Hydrochloric Acid SCHEMBL29381790 0.81 HDAC6 (0.70) HDAC6HDAC1HDAC8HDAC11MELK

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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