SCHEMBL16806958

SCHEMBL16806958

O=C(/C=C/c1ccc(CNCCc2cccc3c2[nH]c2sccc23)cc1)NO

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.58
▸ HDAC3 O15379 11/20 0.58
▸ HDAC4 P56524 11/20 0.58
▸ HDAC7 Q8WUI4 11/20 0.58
▸ HDAC2 Q92769 11/20 0.58
▸ HDAC8 Q9BY41 11/20 0.58
▸ HDAC6 Q9UBN7 11/20 0.58
▸ HDAC9 Q9UKV0 11/20 0.58
▸ HDAC5 Q9UQL6 11/20 0.58
▸ HDAC10 Q969S8 10/20 0.58
▸ HDAC11 Q96DB2 10/20 0.58
▸ KCNH2 Q12809 5/20 0.58
▸ TET3 O43151 1/20 0.54
▸ BRD4 O60885 1/20 0.54
▸ FOXO1 Q12778 1/20 0.54
▸ TET2 Q6N021 1/20 0.54
▸ PIK3C3 Q8NEB9 1/20 0.54
▸ TET1 Q8NFU7 1/20 0.54
▸ NCOR2 Q9Y618 1/20 0.54

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
SCHEMBL16806768 0.88 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806952 0.85 HDAC1 (0.70) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806730 0.83 HDAC1 (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806967 0.83 HDAC1 (0.61) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806971 0.83 HDAC1 (0.71) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806739 0.82 HDAC1 (0.63) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806836 0.80 HDAC1 (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806940 0.80 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806663 0.80 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806949 0.80 HDAC1 (0.55) 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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