SCHEMBL30409054

SCHEMBL30409054

CN(C)c1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)nn2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.52
▸ TEK Q02763 10/20 0.45
▸ KDR P35968 9/20 0.45
▸ EPHB4 P54760 3/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ESRRG P62508 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ HDAC1 Q13547 2/20 0.41

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
SCHEMBL24215760 1.00 HDAC6 (0.52) HDAC6TEKKDREPHB4NPC1
SCHEMBL25218954 0.89 HDAC6 (0.58) HDAC6TEKKDREPHB4NPC1
SCHEMBL25992740 0.87 TEK (0.61) HDAC6TEKKDREPHB4NPC1
SCHEMBL30409407 0.87 HDAC1 (0.47) HDAC6HDAC1
SCHEMBL30409948 0.87 HDAC6 (0.55) HDAC6HDAC1
SCHEMBL24216473 0.87 HDAC6 (0.55) HDAC6HDAC1
SCHEMBL24216445 0.87 HDAC1 (0.47) HDAC6HDAC1
SCHEMBL30409508 0.86 HDAC6 (0.55) HDAC6TEKKDREPHB4NPC1
SCHEMBL25216837 0.86 HDAC6 (0.55) HDAC6TEKKDREPHB4CYP19A1
SCHEMBL24216740 0.86 HDAC6 (0.55) HDAC6TEKKDREPHB4NPC1

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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