SCHEMBL16807371

SCHEMBL16807371

O=C(/C=C/c1ccc(CNCCc2ccnc3[nH]ccc23)cc1)NO

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.73
▸ HDAC3 O15379 13/20 0.59
▸ HDAC4 P56524 13/20 0.59
▸ HDAC7 Q8WUI4 13/20 0.59
▸ HDAC2 Q92769 13/20 0.59
▸ HDAC8 Q9BY41 13/20 0.59
▸ HDAC6 Q9UBN7 13/20 0.59
▸ HDAC9 Q9UKV0 13/20 0.59
▸ HDAC5 Q9UQL6 13/20 0.59
▸ HDAC10 Q969S8 12/20 0.59
▸ HDAC11 Q96DB2 12/20 0.59
▸ KCNH2 Q12809 2/20 0.59
▸ TET3 O43151 1/20 0.50
▸ BRD4 O60885 1/20 0.50
▸ FOXO1 Q12778 1/20 0.50
▸ TET2 Q6N021 1/20 0.50
▸ PIK3C3 Q8NEB9 1/20 0.50
▸ TET1 Q8NFU7 1/20 0.50
▸ NCOR2 Q9Y618 1/20 0.50

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
SCHEMBL16807381 0.89 HDAC1 (0.59) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16807380 0.89 HDAC1 (0.59) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16807376 0.86 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806792 0.86 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806863 0.85 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13949974 0.84 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806648 0.82 HDAC1 (0.76) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806724 0.80 HDAC1 (0.65) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806686 0.79 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806883 0.77 HDAC1 (0.70) 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
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