SCHEMBL30460273

SCHEMBL30460273

C[C@@H]1CN(c2cccc(-c3cn(Cc4ncc(-c5nnc(C(F)F)o5)cc4F)nn3)c2)C[C@H](C)N1C

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 13/20 0.40
▸ HDAC1 Q13547 8/20 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
SCHEMBL25351039 1.00 HDAC6 (0.40) HDAC6HDAC1
SCHEMBL30408954 0.92 HDAC6 (0.39) HDAC6HDAC1
SCHEMBL25350208 0.92 HDAC6 (0.39) HDAC6HDAC1
SCHEMBL25351908 0.91 HDAC1 (0.40) HDAC6HDAC1
SCHEMBL24216896 0.89 HDAC1 (0.41) HDAC6HDAC1
SCHEMBL24216626 0.88 HDAC6 (0.39) HDAC6HDAC1
SCHEMBL30460311 0.88 MET (0.39) HDAC6HDAC1
SCHEMBL30409806 0.88 MET (0.39) HDAC6HDAC1
SCHEMBL25993814 0.88 MET (0.39) HDAC6HDAC1
SCHEMBL25351147 0.87 HDAC1 (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
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
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