SCHEMBL29606246

SCHEMBL29606246

Cc1cccc(-c2cc(-c3ccc4c(c3)nnn4Cc3ccccc3)nn2Cc2ccc(C(=O)NO)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 17/20 0.52
▸ HDAC1 Q13547 13/20 0.52
▸ HDAC3 O15379 11/20 0.52
▸ HDAC4 P56524 11/20 0.52
▸ HDAC7 Q8WUI4 11/20 0.52
▸ HDAC2 Q92769 11/20 0.52
▸ HDAC10 Q969S8 11/20 0.52
▸ HDAC11 Q96DB2 11/20 0.52
▸ HDAC8 Q9BY41 11/20 0.52
▸ HDAC9 Q9UKV0 11/20 0.52
▸ HDAC5 Q9UQL6 11/20 0.52
▸ NCOR2 Q9Y618 10/20 0.52
▸ HCAR3 P49019 1/20 0.49
▸ NAMPT P43490 1/20 0.46
▸ MME P08473 1/20 0.44

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
SCHEMBL29110728 1.00 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29606054 0.92 HDAC6 (0.60) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29110803 0.92 HDAC6 (0.60) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29110739 0.91 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29606637 0.91 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29110745 0.88 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29605219 0.88 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29605377 0.85 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29110791 0.85 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29110799 0.85 HDAC6 (0.53) 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 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
Send feedback