SCHEMBL29606484

SCHEMBL29606484

Nc1nc2ccc(-c3cc(-c4cccc(F)c4)n(Cc4ccc(C(=O)NO)cc4)n3)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 15/20 0.51
▸ HDAC6 Q9UBN7 14/20 0.51
▸ HDAC3 O15379 12/20 0.51
▸ HDAC4 P56524 12/20 0.51
▸ HDAC7 Q8WUI4 12/20 0.51
▸ HDAC2 Q92769 12/20 0.51
▸ HDAC10 Q969S8 12/20 0.51
▸ HDAC11 Q96DB2 12/20 0.51
▸ HDAC8 Q9BY41 12/20 0.51
▸ HDAC9 Q9UKV0 12/20 0.51
▸ HDAC5 Q9UQL6 12/20 0.51
▸ NCOR2 Q9Y618 12/20 0.51
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CYP2D6 P10635 1/20 0.41
▸ PIP5K1C O60331 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41

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
SCHEMBL29110735 1.00 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29110726 0.91 HDAC6 (0.61) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29605463 0.91 HDAC6 (0.61) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29606259 0.91 HDAC6 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29110787 0.91 HDAC6 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29606339 0.90 CYP2C9 (0.52) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29110790 0.90 CYP2C9 (0.52) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29110801 0.90 HDAC6 (0.52) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29605785 0.90 HDAC6 (0.52) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29606668 0.89 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC4HDAC7

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-114621194-B 4-methylene-N-hydroxybenzoamide compound and application thereof 沈阳药科大学 2023-08-29 — — CN disclosed
CN-114621194-A 4-methylene-N-hydroxybenzamide compound and application thereof 沈阳药科大学 2022-06-14 — — CN disclosed
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