SCHEMBL30409985

SCHEMBL30409985

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 14/20 0.56
▸ TEK Q02763 3/20 0.49
▸ KDR P35968 2/20 0.49
▸ EPHB4 P54760 1/20 0.49
▸ UCHL5 Q9Y5K5 1/20 0.42
▸ HDAC1 Q13547 2/20 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
SCHEMBL24215833 1.00 HDAC6 (0.56) HDAC6TEKKDREPHB4UCHL5
SCHEMBL25349454 0.90 HDAC6 (0.57) HDAC6HDAC1
SCHEMBL31535160 0.90 HDAC6 (0.57) HDAC6HDAC1
SCHEMBL25349267 0.89 HDAC6 (0.56) HDAC6HDAC1
SCHEMBL31535159 0.89 HDAC6 (0.57) HDAC6TEKKDREPHB4HDAC1
SCHEMBL22557712 0.89 HDAC6 (0.70) HDAC6TEKKDREPHB4HDAC1
SCHEMBL25350687 0.89 HDAC6 (0.57) HDAC6TEKKDREPHB4HDAC1
SCHEMBL29402321 0.89 HDAC6 (0.70) HDAC6TEKKDREPHB4HDAC1
SCHEMBL24216054 0.88 HDAC6 (0.67) HDAC6KDRHDAC1
SCHEMBL29398947 0.88 HDAC6 (0.67) HDAC6KDRHDAC1

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