SCHEMBL30409760

SCHEMBL30409760

CNCc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)nn2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 5/20 0.39
▸ HDAC1 Q13547 15/20 0.39

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
SCHEMBL30409818 0.89 HDAC6 (0.41) HDAC6
SCHEMBL24215824 0.89 HDAC6 (0.41) HDAC6
SCHEMBL30409149 0.88 HDAC1 (0.42) HDAC6HDAC1
SCHEMBL24217065 0.88 HDAC1 (0.42) HDAC6HDAC1
SCHEMBL30409785 0.86 HDAC6 (0.43) HDAC6HDAC1
SCHEMBL24216601 0.84 HDAC1 (0.40) HDAC6HDAC1
SCHEMBL30409956 0.84 HDAC1 (0.40) HDAC6HDAC1
SCHEMBL30409399 0.82 HDAC6 (0.43) HDAC6HDAC1
SCHEMBL25354688 0.81 HDAC6 (0.41) HDAC6HDAC1
SCHEMBL30409209 0.81 HDAC6 (0.41) HDAC6HDAC1

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-116133658-A Novel compounds as inhibitors of histone deacetylase 6 and pharmaceutical compositions comprising the same 株式会社 钟根堂 2023-05-16 — — CN disclosed
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