SCHEMBL30409448

SCHEMBL30409448

CN1Cc2cccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)c2C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 9/20 0.49
▸ EPHB4 P54760 6/20 0.43
▸ TEK Q02763 6/20 0.43
▸ KDR P35968 5/20 0.43
▸ HDAC1 Q13547 5/20 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
SCHEMBL25350732 1.00 HDAC6 (0.49) HDAC6EPHB4TEKKDRHDAC1
SCHEMBL25352348 0.89 HDAC6 (0.48) HDAC6EPHB4TEKKDRHDAC1
SCHEMBL25351533 0.89 HDAC6 (0.48) HDAC6EPHB4TEKKDRHDAC1
SCHEMBL25351485 0.88 HDAC6 (0.50) HDAC6HDAC1
SCHEMBL30408205 0.88 HDAC6 (0.50) HDAC6HDAC1
SCHEMBL30408589 0.87 HDAC1 (0.48) HDAC6EPHB4TEKKDRHDAC1
SCHEMBL24216777 0.87 HDAC1 (0.48) HDAC6EPHB4TEKKDRHDAC1
SCHEMBL25351234 0.85 HDAC6 (0.48) HDAC6EPHB4TEKKDRHDAC1
SCHEMBL25352210 0.85 HDAC6 (0.48) HDAC6EPHB4TEKKDRHDAC1
SCHEMBL24216864 0.84 HDAC6 (0.52) 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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