SCHEMBL30409145

SCHEMBL30409145

COc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)nn2)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 5/20 0.42
▸ HDAC1 Q13547 14/20 0.41
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL24216585 1.00 HDAC6 (0.42) HDAC6HDAC1PSEN1PSEN2KCNH2
SCHEMBL25351960 0.88 HDAC6 (0.43) HDAC6HDAC1
SCHEMBL25350779 0.82 HDAC6 (0.58) HDAC6HDAC1
SCHEMBL24215834 0.82 HDAC1 (0.48) HDAC6HDAC1
SCHEMBL30409440 0.82 HDAC1 (0.48) HDAC6HDAC1
SCHEMBL25992738 0.81 TEK (0.47) HDAC6HDAC1
SCHEMBL25351646 0.81 DPP4 (0.48) HDAC6HDAC1
SCHEMBL30409969 0.81 HDAC1 (0.51) HDAC6HDAC1
SCHEMBL25350410 0.81 HDAC6 (0.45) HDAC6HDAC1
SCHEMBL24215788 0.81 HDAC1 (0.42) 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 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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