SCHEMBL30409399

SCHEMBL30409399

CNCc1cc(Cl)cc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)nn2)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.43
▸ HDAC1 Q13547 8/20 0.38
▸ CDC7 O00311 1/20 0.36
▸ ATR Q13535 1/20 0.36

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
SCHEMBL30410119 0.88 HDAC6 (0.41) HDAC6HDAC1
SCHEMBL24216196 0.88 HDAC6 (0.41) HDAC6HDAC1
SCHEMBL30409785 0.87 HDAC6 (0.43) HDAC6HDAC1CDC7
SCHEMBL30410133 0.83 HDAC6 (0.41) HDAC6HDAC1
SCHEMBL24217049 0.83 HDAC6 (0.41) HDAC6HDAC1
SCHEMBL25350410 0.82 HDAC6 (0.45) HDAC6HDAC1
SCHEMBL30409760 0.82 HDAC6 (0.39) HDAC6HDAC1
SCHEMBL25992736 0.82 HDAC6 (0.43) HDAC6HDAC1
SCHEMBL25351646 0.81 DPP4 (0.48) HDAC6HDAC1
SCHEMBL24215834 0.80 HDAC1 (0.48) 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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