SCHEMBL29110796

SCHEMBL29110796

Cn1nnc2cc(-c3cc(-c4ccc(C(F)(F)F)cc4)n(Cc4ccc(C(=O)NO)cc4)n3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.55
HDAC3 O15379 14/20 0.55
HDAC4 P56524 14/20 0.55
HDAC1 Q13547 14/20 0.55
HDAC7 Q8WUI4 14/20 0.55
HDAC2 Q92769 14/20 0.55
HDAC10 Q969S8 14/20 0.55
HDAC11 Q96DB2 14/20 0.55
HDAC8 Q9BY41 14/20 0.55
HDAC9 Q9UKV0 14/20 0.55
HDAC5 Q9UQL6 14/20 0.55
NCOR2 Q9Y618 14/20 0.55
GCGR P47871 4/20 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
SCHEMBL29605378 1.00 HDAC6 (0.55) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110799 0.90 HDAC6 (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110811 0.90 HDAC6 (0.62) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29606498 0.90 HDAC6 (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29606677 0.90 HDAC6 (0.62) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29606043 0.89 HDAC6 (0.68) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110784 0.89 HDAC6 (0.68) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110791 0.89 HDAC6 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29605377 0.89 HDAC6 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110762 0.87 HDAC6 (0.58) 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