SCHEMBL30410398

SCHEMBL30410398

CC(C)(C)C(=O)Nc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 13/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ KDR P35968 2/20 0.42
▸ TEK Q02763 1/20 0.42
▸ UCHL5 Q9Y5K5 1/20 0.41
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC3 O15379 3/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 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
SCHEMBL25350996 1.00 HDAC6 (0.49) HDAC6KDM4EKDRTEKUCHL5
SCHEMBL24216211 0.94 HDAC6 (0.49) HDAC6KDM4EKDRTEKUCHL5
SCHEMBL30408530 0.94 HDAC6 (0.49) HDAC6KDM4EKDRTEKUCHL5
SCHEMBL24216698 0.94 HDAC6 (0.49) HDAC6KDM4EKDRTEKUCHL5
SCHEMBL30409392 0.94 HDAC6 (0.49) HDAC6KDM4EKDRTEKUCHL5
SCHEMBL25350716 0.92 HDAC6 (0.47) HDAC6KDM4EKDRTEKUCHL5
SCHEMBL25352280 0.92 HDAC6 (0.46) HDAC6KDM4EKDRTEKUCHL5
SCHEMBL30424695 0.91 HDAC6 (0.51) HDAC6KDRTEKUCHL5HDAC1
SCHEMBL25216547 0.91 HDAC6 (0.51) HDAC6KDRTEKUCHL5HDAC1
SCHEMBL30410460 0.90 HDAC6 (0.47) HDAC6KDM4EKDRTEKUCHL5

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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