SCHEMBL30409482

SCHEMBL30409482

Fc1c(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)nn2)cccc1N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 5/20 0.49
▸ EPHB4 P54760 5/20 0.40
▸ TEK Q02763 4/20 0.40
▸ KDR P35968 3/20 0.40
▸ HDAC1 Q13547 5/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ HTR7 P34969 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CDC7 O00311 1/20 0.35

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
SCHEMBL24215783 1.00 HDAC6 (0.49) HDAC6EPHB4TEKKDRHDAC1
SCHEMBL25350328 0.90 HDAC6 (0.47) HDAC6EPHB4TEKKDRHDAC1
SCHEMBL30460307 0.88 HDAC6 (0.47) HDAC6HDAC1
SCHEMBL30409445 0.88 HDAC1 (0.48) HDAC6HDAC1
SCHEMBL24216756 0.88 HDAC1 (0.48) HDAC6HDAC1
SCHEMBL24216765 0.88 HDAC6 (0.47) HDAC6HDAC1
SCHEMBL25993121 0.88 HDAC6 (0.48) HDAC6EPHB4TEKKDRHDAC1
SCHEMBL25993122 0.86 HDAC1 (0.48) HDAC6EPHB4TEKKDRHDAC1
SCHEMBL25993123 0.86 HDAC1 (0.48) HDAC6EPHB4TEKKDRHDAC1
SCHEMBL25349979 0.84 HDAC6 (0.49) HDAC6EPHB4TEKKDRHDAC1

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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