SCHEMBL16806663

SCHEMBL16806663

O=C(/C=C/c1ccc(CNCCc2cccc3c4c([nH]c23)CCCC4)cc1)NO

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.57
▸ HDAC3 O15379 12/20 0.57
▸ HDAC4 P56524 12/20 0.57
▸ HDAC7 Q8WUI4 12/20 0.57
▸ HDAC2 Q92769 12/20 0.57
▸ HDAC8 Q9BY41 12/20 0.57
▸ HDAC6 Q9UBN7 12/20 0.57
▸ HDAC9 Q9UKV0 12/20 0.57
▸ HDAC5 Q9UQL6 12/20 0.57
▸ HDAC10 Q969S8 11/20 0.57
▸ HDAC11 Q96DB2 11/20 0.57
▸ KCNH2 Q12809 4/20 0.57
▸ TET3 O43151 1/20 0.53
▸ BRD4 O60885 1/20 0.53
▸ FOXO1 Q12778 1/20 0.53
▸ TET2 Q6N021 1/20 0.53
▸ PIK3C3 Q8NEB9 1/20 0.53
▸ TET1 Q8NFU7 1/20 0.53
▸ NCOR2 Q9Y618 1/20 0.53

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
SCHEMBL16806762 0.99 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806975 0.91 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806960 0.88 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806962 0.88 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806969 0.87 HDAC1 (0.54) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806787 0.87 HDAC1 (0.54) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806961 0.87 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806788 0.87 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806950 0.87 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806815 0.87 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2

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
WO-2015085860-A1 HETEROCYCLIC HYDROXAMIC ACID COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 广州康缔安生物科技有限公司 2015-06-18 — — WO disclosed
Send feedback