SCHEMBL29110806

SCHEMBL29110806

Nc1nc2ccc(-c3cc(-c4ccc(Br)cc4)n(Cc4ccc(C(=O)NO)cc4)n3)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 13/20 0.50
▸ HDAC3 O15379 12/20 0.50
▸ HDAC4 P56524 12/20 0.50
▸ HDAC1 Q13547 12/20 0.50
▸ HDAC7 Q8WUI4 12/20 0.50
▸ HDAC2 Q92769 12/20 0.50
▸ HDAC10 Q969S8 12/20 0.50
▸ HDAC11 Q96DB2 12/20 0.50
▸ HDAC8 Q9BY41 12/20 0.50
▸ HDAC9 Q9UKV0 12/20 0.50
▸ HDAC5 Q9UQL6 12/20 0.50
▸ NCOR2 Q9Y618 12/20 0.50
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GPR183 P32249 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL29607167 1.00 HDAC6 (0.50) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110790 0.93 CYP2C9 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29606339 0.93 CYP2C9 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110781 0.92 HDAC1 (0.61) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29605463 0.92 HDAC6 (0.61) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29606613 0.92 HDAC1 (0.61) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110726 0.92 HDAC6 (0.61) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110787 0.91 HDAC6 (0.46) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29606259 0.91 HDAC6 (0.46) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110798 0.90 HDAC6 (0.52) 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
Send feedback