SCHEMBL29093788

SCHEMBL29093788

Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(=O)CCCCCCC(=O)NO)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 17/20 1.00
▸ HDAC1 Q13547 13/20 1.00
▸ EZH2 Q15910 4/20 0.77
▸ 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
▸ HDAC4 P56524 1/20 0.74
▸ HDAC7 Q8WUI4 1/20 0.74
▸ HDAC2 Q92769 1/20 0.74
▸ HDAC10 Q969S8 1/20 0.74
▸ HDAC11 Q96DB2 1/20 0.74
▸ HDAC8 Q9BY41 1/20 0.74
▸ HDAC9 Q9UKV0 1/20 0.74
▸ HDAC5 Q9UQL6 1/20 0.74

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
SCHEMBL29093621 0.99 HDAC6 (1.00) HDAC6HDAC1EZH2EZH1EED
SCHEMBL29093649 0.98 HDAC6 (1.00) HDAC6HDAC1EZH2EZH1EED
SCHEMBL29093703 0.93 HDAC6 (1.00) HDAC6HDAC1EZH2EZH1EED
SCHEMBL29093613 0.93 HDAC6 (1.00) HDAC6HDAC1EZH2EZH1EED
SCHEMBL29093606 0.93 HDAC6 (1.00) HDAC6HDAC1EZH2EZH1EED
SCHEMBL29093635 0.93 HDAC6 (1.00) HDAC6HDAC1EZH2EZH1EED
SCHEMBL29093837 0.93 HDAC6 (1.00) HDAC6HDAC1EZH2EZH1EED
SCHEMBL29093625 0.92 HDAC6 (1.00) HDAC6HDAC1EZH2EZH1EED
SCHEMBL29093708 0.91 HDAC6 (1.00) HDAC6HDAC1EZH2EZH1EED
SCHEMBL21285007 0.88 HDAC6 (0.79) HDAC6HDAC1EZH2EZH1EED

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
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