SCHEMBL29110804

SCHEMBL29110804

Nc1nc2ccc(-c3cc(Cc4ccccc4)n(Cc4ccc(C(=O)NO)cc4)n3)cc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 11/20 0.67
▸ HDAC3 O15379 8/20 0.67
▸ HDAC4 P56524 8/20 0.67
▸ HDAC1 Q13547 8/20 0.67
▸ HDAC7 Q8WUI4 8/20 0.67
▸ HDAC2 Q92769 8/20 0.67
▸ HDAC10 Q969S8 8/20 0.67
▸ HDAC11 Q96DB2 8/20 0.67
▸ HDAC8 Q9BY41 8/20 0.67
▸ HDAC9 Q9UKV0 8/20 0.67
▸ HDAC5 Q9UQL6 8/20 0.67
▸ NCOR2 Q9Y618 8/20 0.67
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ CYP2D6 P10635 2/20 0.49
▸ PIK3CA P42336 2/20 0.46
▸ PI4KA P42356 2/20 0.46
▸ PI4KB Q9UBF8 2/20 0.46
▸ PIK3CD O00329 1/20 0.46
▸ PIK3CB P42338 1/20 0.46

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
SCHEMBL29606448 1.00 HDAC6 (0.67) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110824 0.90 HDAC3 (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110790 0.88 CYP2C9 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29606339 0.88 CYP2C9 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29607167 0.83 HDAC6 (0.50) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110806 0.83 HDAC6 (0.50) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110795 0.83 CYP2C9 (0.46) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29605818 0.82 HDAC1 (0.66) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29606613 0.82 HDAC1 (0.61) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110773 0.82 HDAC1 (0.66) HDAC6HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621194-B 4-methylene-N-hydroxybenzoamide compound and application thereof 沈阳药科大学 2023-08-29 — — CN disclosed
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