SCHEMBL30410019

SCHEMBL30410019

O=Cc1ccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)nn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.40
▸ HDAC6 Q9UBN7 4/20 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
SCHEMBL24216847 1.00 HDAC1 (0.40) HDAC1HDAC6
SCHEMBL25351906 0.91 HDAC6 (0.44) HDAC1HDAC6
SCHEMBL24216857 0.87 HDAC6 (0.40) HDAC6
SCHEMBL30409010 0.87 HDAC6 (0.40) HDAC6
SCHEMBL25356277 0.87 HDAC6 (0.41) HDAC1HDAC6
SCHEMBL25351043 0.86 HDAC6 (0.41) HDAC1HDAC6
SCHEMBL25351014 0.85 HDAC1 (0.41) HDAC1HDAC6
SCHEMBL30409434 0.85 HDAC1 (0.41) HDAC1HDAC6
SCHEMBL25352192 0.85 HDAC6 (0.42) HDAC1HDAC6
SCHEMBL30788078 0.84 HDAC6 (0.51) HDAC1HDAC6

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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