SCHEMBL30409443

SCHEMBL30409443

CN(C)Cc1ccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)nn2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 18/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.41
▸ CDC7 O00311 1/20 0.38

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
SCHEMBL24216159 1.00 HDAC1 (0.42) HDAC1HDAC6CDC7
SCHEMBL24217081 0.90 HDAC6 (0.39) HDAC1HDAC6
SCHEMBL30408154 0.90 HDAC6 (0.39) HDAC1HDAC6
SCHEMBL25355851 0.88 HDAC6 (0.47) HDAC1HDAC6
SCHEMBL30409785 0.88 HDAC6 (0.43) HDAC1HDAC6CDC7
SCHEMBL24216196 0.87 HDAC6 (0.41) HDAC1HDAC6
SCHEMBL30410119 0.87 HDAC6 (0.41) HDAC1HDAC6
SCHEMBL25351959 0.86 HDAC1 (0.43) HDAC1HDAC6
SCHEMBL24217065 0.86 HDAC1 (0.42) HDAC1HDAC6
SCHEMBL30409149 0.86 HDAC1 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4185586-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2023-05-31 — — EP disclosed
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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