SCHEMBL29093619

SCHEMBL29093619

Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(Cc5ccc(C(=O)NO)cc5)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 15/20 1.00
▸ HDAC1 Q13547 11/20 0.81
▸ EZH2 Q15910 5/20 0.81
▸ HDAC4 P56524 1/20 0.81
▸ HDAC7 Q8WUI4 1/20 0.81
▸ HDAC2 Q92769 1/20 0.81
▸ HDAC10 Q969S8 1/20 0.81
▸ HDAC11 Q96DB2 1/20 0.81
▸ HDAC8 Q9BY41 1/20 0.81
▸ HDAC9 Q9UKV0 1/20 0.81
▸ HDAC5 Q9UQL6 1/20 0.81
▸ EZH1 Q92800 2/20 0.77
▸ EED O75530 1/20 0.77
▸ RBBP4 Q09028 1/20 0.77
▸ SUZ12 Q15022 1/20 0.77
▸ RBBP7 Q16576 1/20 0.77
▸ AEBP2 Q6ZN18 1/20 0.77

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
SCHEMBL29093617 0.91 HDAC6 (1.00) HDAC6HDAC1EZH2HDAC4HDAC7
SCHEMBL29093629 0.90 HDAC6 (1.00) HDAC6HDAC1EZH2HDAC4HDAC7
SCHEMBL29093626 0.89 HDAC6 (1.00) HDAC6HDAC1EZH2HDAC4HDAC7
SCHEMBL29397460 0.88 EZH2 (1.00) HDAC6HDAC1EZH2HDAC4HDAC7
SCHEMBL21271616 0.88 EZH2 (1.00) HDAC6HDAC1EZH2HDAC4HDAC7
SCHEMBL2590353 0.88 EZH2 (1.00) HDAC6HDAC1EZH2HDAC4HDAC7
SCHEMBL31505792 0.88 EZH2 (1.00) HDAC6HDAC1EZH2HDAC4HDAC7
SCHEMBL21284996 0.87 EZH2 (0.86) HDAC6HDAC1EZH2HDAC4HDAC7
SCHEMBL29093708 0.87 HDAC6 (1.00) HDAC6HDAC1EZH2HDAC4HDAC7
SCHEMBL12180851 0.87 EZH2 (0.88) HDAC6HDAC1EZH2HDAC4HDAC7

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
CN-116768857-A EZH2/HDAC double-target inhibitor and preparation method and medical application thereof 中国药科大学 2023-09-19 — — CN claimed
CN-116768857-A EZH2/HDAC double-target inhibitor and preparation method and medical application thereof 中国药科大学 2023-09-19 — — CN disclosed
Send feedback