SCHEMBL30409208

SCHEMBL30409208

O=C(O)c1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 13/20 0.58
▸ UCHL5 Q9Y5K5 2/20 0.48
▸ UCHL1 P09936 1/20 0.48
▸ UCHL3 P15374 1/20 0.48
▸ HDAC1 Q13547 6/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ PTGES2 Q9H7Z7 1/20 0.42

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
SCHEMBL25352274 1.00 HDAC6 (0.58) HDAC6UCHL5UCHL1UCHL3HDAC1
SCHEMBL25352360 0.88 HDAC6 (0.51) HDAC6HDAC1
SCHEMBL30460209 0.88 HDAC6 (0.51) HDAC6HDAC1
SCHEMBL25352849 0.88 HDAC6 (0.51) HDAC6HDAC1
SCHEMBL25351958 0.88 HDAC6 (0.52) HDAC6UCHL5HDAC1HDAC3HDAC2
SCHEMBL31535160 0.88 HDAC6 (0.57) HDAC6HDAC1
SCHEMBL25349454 0.88 HDAC6 (0.57) HDAC6HDAC1
SCHEMBL29398947 0.88 HDAC6 (0.67) HDAC6HDAC1
SCHEMBL24216054 0.88 HDAC6 (0.67) HDAC6HDAC1
SCHEMBL25351229 0.87 HDAC6 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157398-B Oxadiazole-based selective histone deacetylase 6 inhibitors 意大发马克股份公司 2025-03-11 — — CN claimed
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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