SCHEMBL16806948

SCHEMBL16806948

O=C(/C=C/c1ccc(CNCCc2ccc3[nH]ccc3c2)cc1)NO

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.62
▸ HDAC2 Q92769 14/20 0.62
▸ HDAC3 O15379 13/20 0.62
▸ HDAC8 Q9BY41 13/20 0.62
▸ HDAC4 P56524 12/20 0.62
▸ HDAC7 Q8WUI4 12/20 0.62
▸ HDAC10 Q969S8 12/20 0.62
▸ HDAC11 Q96DB2 12/20 0.62
▸ HDAC6 Q9UBN7 12/20 0.62
▸ HDAC9 Q9UKV0 12/20 0.62
▸ HDAC5 Q9UQL6 12/20 0.62
▸ KCNH2 Q12809 2/20 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
SCHEMBL16806929 0.91 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL16806881 0.89 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL16806849 0.88 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL16806845 0.86 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL16806884 0.86 HDAC1 (0.48) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL16806866 0.84 HDAC1 (0.57) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL16806883 0.84 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL16806719 0.83 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL16806805 0.82 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL16806966 0.82 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC8HDAC4

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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