SCHEMBL29110799

SCHEMBL29110799

Cn1nnc2cc(-c3cc(-c4ccccc4)n(Cc4ccc(C(=O)NO)cc4)n3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.53
HDAC1 Q13547 13/20 0.52
HDAC3 O15379 12/20 0.52
HDAC4 P56524 12/20 0.52
HDAC7 Q8WUI4 12/20 0.52
HDAC2 Q92769 12/20 0.52
HDAC10 Q969S8 12/20 0.52
HDAC11 Q96DB2 12/20 0.52
HDAC8 Q9BY41 12/20 0.52
HDAC9 Q9UKV0 12/20 0.52
HDAC5 Q9UQL6 12/20 0.52
NCOR2 Q9Y618 12/20 0.52
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL29606498 1.00 HDAC6 (0.53) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29606677 0.93 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29110811 0.93 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29606637 0.91 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29110739 0.91 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29110758 0.90 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29606417 0.90 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29110796 0.90 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29605378 0.90 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29605505 0.88 HDAC6 (0.67) HDAC6HDAC1HDAC3HDAC4HDAC7

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