SCHEMBL16806836

SCHEMBL16806836

O=C(/C=C/c1ccc(CNCCc2ccc3[nH]c4sccc4c3c2)cc1)NO

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.58
▸ KCNH2 Q12809 6/20 0.58
▸ HDAC3 O15379 10/20 0.56
▸ HDAC4 P56524 10/20 0.56
▸ HDAC7 Q8WUI4 10/20 0.56
▸ HDAC2 Q92769 10/20 0.56
▸ HDAC10 Q969S8 10/20 0.56
▸ HDAC11 Q96DB2 10/20 0.56
▸ HDAC8 Q9BY41 10/20 0.56
▸ HDAC6 Q9UBN7 10/20 0.56
▸ HDAC9 Q9UKV0 10/20 0.56
▸ HDAC5 Q9UQL6 10/20 0.56
▸ TET3 O43151 1/20 0.56
▸ BRD4 O60885 1/20 0.56
▸ FOXO1 Q12778 1/20 0.56
▸ TET2 Q6N021 1/20 0.56
▸ PIK3C3 Q8NEB9 1/20 0.56
▸ TET1 Q8NFU7 1/20 0.56
▸ NCOR2 Q9Y618 1/20 0.56

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
SCHEMBL16806940 0.92 HDAC1 (0.55) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL16806882 0.85 HDAC1 (0.70) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL16806808 0.84 HDAC1 (0.68) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL16806768 0.83 HDAC1 (0.60) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL16806804 0.82 HDAC1 (0.57) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL16806958 0.80 HDAC1 (0.58) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL16806838 0.80 HDAC1 (0.59) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL16806835 0.80 HDAC1 (0.67) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL16806793 0.79 HDAC1 (0.56) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL16806720 0.79 HDAC1 (0.53) HDAC1KCNH2HDAC3HDAC4HDAC7

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