SCHEMBL31553399

SCHEMBL31553399

O=c1oc(-c2ccc3c(c2)CNCC3)nn1Cc1ccc(-c2nnc(C(F)F)o2)cn1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 14/20 0.47
▸ HDAC1 Q13547 7/20 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
SCHEMBL30810821 0.97 HDAC6 (0.47) HDAC6HDAC1
SCHEMBL30810819 0.85 HDAC6 (0.47) HDAC6HDAC1
SCHEMBL31553366 0.83 HDAC6 (0.48) HDAC6HDAC1
SCHEMBL25355303 0.81 HDAC6 (0.49) HDAC6HDAC1
SCHEMBL31553393 0.81 HDAC6 (0.48) HDAC6HDAC1
SCHEMBL30409917 0.81 HDAC6 (0.49) HDAC6HDAC1
SCHEMBL30810835 0.80 HDAC6 (0.49) HDAC6HDAC1
SCHEMBL31553381 0.80 HDAC6 (0.52) HDAC6HDAC1
SCHEMBL30810815 0.79 HDAC1 (0.51) HDAC6HDAC1
SCHEMBL31553408 0.78 HDAC6 (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-119816495-A 1,3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitors and uses thereof 株式会社钟根堂 2025-04-11 — — CN disclosed
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