SCHEMBL29110787

SCHEMBL29110787

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 14/20 0.46
▸ HDAC3 O15379 13/20 0.46
▸ HDAC4 P56524 13/20 0.46
▸ HDAC1 Q13547 13/20 0.46
▸ HDAC7 Q8WUI4 13/20 0.46
▸ HDAC2 Q92769 13/20 0.46
▸ HDAC10 Q969S8 13/20 0.46
▸ HDAC11 Q96DB2 13/20 0.46
▸ HDAC8 Q9BY41 13/20 0.46
▸ HDAC9 Q9UKV0 13/20 0.46
▸ HDAC5 Q9UQL6 13/20 0.46
▸ NCOR2 Q9Y618 13/20 0.46
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL29606259 1.00 HDAC6 (0.46) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110806 0.91 HDAC6 (0.50) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29607167 0.91 HDAC6 (0.50) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110790 0.91 CYP2C9 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29606339 0.91 CYP2C9 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110801 0.91 HDAC6 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29605785 0.91 HDAC6 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110735 0.91 HDAC1 (0.51) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29606484 0.91 HDAC1 (0.51) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110742 0.88 HDAC1 (0.53) 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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