SCHEMBL30408144

SCHEMBL30408144

CN1CCc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4F)nn3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 17/20 0.47
▸ HDAC6 Q9UBN7 1/20 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
SCHEMBL25349702 1.00 HDAC1 (0.47) HDAC1HDAC6
SCHEMBL25350552 0.97 HDAC1 (0.46) HDAC1HDAC6
SCHEMBL24216717 0.94 HDAC1 (0.47) HDAC1HDAC6
SCHEMBL30409163 0.94 HDAC1 (0.47) HDAC1HDAC6
SCHEMBL25350994 0.91 HDAC1 (0.46) HDAC1HDAC6
SCHEMBL25350352 0.91 HDAC1 (0.46) HDAC1HDAC6
SCHEMBL24215827 0.87 HDAC6 (0.39) HDAC1HDAC6
SCHEMBL25352447 0.87 HDAC1 (0.46) HDAC1HDAC6
SCHEMBL25351390 0.87 HDAC1 (0.46) HDAC1HDAC6
SCHEMBL30409439 0.87 HDAC6 (0.39) HDAC1HDAC6

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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