SCHEMBL30409917

SCHEMBL30409917

FC(F)c1nnc(-c2ccc(Cn3cc(-c4ccc5c(c4)CNCC5)nn3)nc2)o1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 14/20 0.49
▸ HDAC1 Q13547 7/20 0.39

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
SCHEMBL25355303 1.00 HDAC6 (0.49) HDAC6HDAC1
SCHEMBL25351986 0.97 HDAC6 (0.49) HDAC6HDAC1
SCHEMBL30409362 0.97 HDAC6 (0.49) HDAC6HDAC1
SCHEMBL30410493 0.93 HDAC6 (0.52) HDAC6HDAC1
SCHEMBL24216903 0.93 HDAC6 (0.52) HDAC6HDAC1
Trifluoroacetic Acid SCHEMBL25352599 0.90 HDAC6 (0.45) HDAC6HDAC1
Trifluoroacetic Acid SCHEMBL30409130 0.90 HDAC6 (0.45) HDAC6HDAC1
SCHEMBL30409563 0.87 HDAC6 (0.42) HDAC6HDAC1
SCHEMBL24217070 0.87 HDAC6 (0.42) HDAC6HDAC1
SCHEMBL24216720 0.84 HDAC6 (0.44) 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
Send feedback