SCHEMBL30409407

SCHEMBL30409407

CN(C)c1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)nn2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 17/20 0.47
▸ ROCK2 O75116 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ HDAC6 Q9UBN7 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
SCHEMBL24216445 1.00 HDAC1 (0.47) HDAC1ROCK2PAK4PIM1GSK3B
SCHEMBL25992738 0.88 TEK (0.47) HDAC1ROCK2PAK4PIM1GSK3B
SCHEMBL30410054 0.87 HDAC1 (0.42) HDAC1ROCK2PAK4PIM1GSK3B
SCHEMBL24215788 0.87 HDAC1 (0.42) HDAC1ROCK2PAK4PIM1GSK3B
SCHEMBL30409054 0.87 HDAC6 (0.52) HDAC1HDAC6
SCHEMBL24215760 0.87 HDAC6 (0.52) HDAC1HDAC6
SCHEMBL24215834 0.86 HDAC1 (0.48) HDAC1ROCK2PAK4PIM1GSK3B
SCHEMBL30409440 0.86 HDAC1 (0.48) HDAC1ROCK2PAK4PIM1GSK3B
SCHEMBL24216081 0.86 TEK (0.47) HDAC1ROCK2PAK4PIM1GSK3B
SCHEMBL30409885 0.86 TEK (0.47) HDAC1ROCK2PAK4PIM1GSK3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157398-B Oxadiazole-based selective histone deacetylase 6 inhibitors 意大发马克股份公司 2025-03-11 — — CN claimed
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