SCHEMBL30409335

SCHEMBL30409335

Cn1cc2cccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

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
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37

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
SCHEMBL30407973 0.87 HDAC6 (0.51) HDAC6HDAC1
SCHEMBL30409501 0.83 HDAC6 (0.55) HDAC6EPHB4TEKKDRMEN1
SCHEMBL25349857 0.83 HDAC6 (0.51) HDAC6EPHB4TEKKDR
SCHEMBL25349528 0.83 HDAC6 (0.51) HDAC6EPHB4TEKKDR
SCHEMBL25352264 0.82 HDAC6 (0.53) HDAC6EPHB4TEKKDR
SCHEMBL25213319 0.80 HDAC6 (0.56) HDAC6EPHB4TEKKDRMEN1
SCHEMBL30409448 0.80 HDAC6 (0.49) HDAC6EPHB4TEKKDRHDAC1
SCHEMBL25350732 0.80 HDAC6 (0.49) HDAC6EPHB4TEKKDRHDAC1
SCHEMBL25217353 0.80 HDAC6 (0.52) HDAC6EPHB4TEKKDRMEN1
SCHEMBL30425888 0.80 HDAC6 (0.52) HDAC6EPHB4TEKKDRMEN1

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-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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