SCHEMBL30409092

SCHEMBL30409092

CC(C)(C)C(=O)Nc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)nn2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ HDAC6 Q9UBN7 9/20 0.51
▸ KDR P35968 4/20 0.49
▸ TEK Q02763 3/20 0.49
▸ HDAC3 O15379 4/20 0.49
▸ HDAC1 Q13547 4/20 0.49
▸ HDAC2 Q92769 3/20 0.49
▸ HDAC10 Q969S8 3/20 0.49
▸ HDAC8 Q9BY41 3/20 0.49
▸ UCHL5 Q9Y5K5 1/20 0.46
▸ AKT1 P31749 2/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ HDAC4 P56524 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ SNCA P37840 1/20 0.41
▸ EPHB4 P54760 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
SCHEMBL24215752 1.00 KDM4E (0.53) KDM4EHDAC6KDRTEKHDAC3
SCHEMBL24215759 0.94 HDAC6 (0.50) KDM4EHDAC6KDRTEKHDAC3
SCHEMBL30409499 0.94 HDAC6 (0.50) KDM4EHDAC6KDRTEKHDAC3
SCHEMBL25352910 0.93 HDAC6 (0.49) KDM4EHDAC6KDRTEKHDAC3
SCHEMBL25207943 0.91 UCHL5 (0.56) HDAC6KDRTEKHDAC3HDAC1
SCHEMBL30425502 0.91 UCHL5 (0.56) HDAC6KDRTEKHDAC3HDAC1
SCHEMBL25350756 0.90 HDAC6 (0.53) HDAC6KDRTEKHDAC3HDAC1
SCHEMBL30410398 0.89 HDAC6 (0.49) KDM4EHDAC6KDRTEKHDAC3
SCHEMBL25350996 0.89 HDAC6 (0.49) KDM4EHDAC6KDRTEKHDAC3
SCHEMBL25993017 0.89 KDM4E (0.52) KDM4EHDAC6KDRTEKHDAC3

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