SCHEMBL16807377

SCHEMBL16807377

O=C(/C=C/c1ccc(CN(CCO)CCc2ccnc3[nH]ccc23)cn1)NO

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.51
▸ HDAC6 Q9UBN7 12/20 0.51
▸ HDAC3 O15379 11/20 0.51
▸ HDAC8 Q9BY41 11/20 0.51
▸ HDAC4 P56524 10/20 0.51
▸ HDAC7 Q8WUI4 10/20 0.51
▸ HDAC2 Q92769 10/20 0.51
▸ HDAC10 Q969S8 10/20 0.51
▸ HDAC11 Q96DB2 10/20 0.51
▸ HDAC9 Q9UKV0 10/20 0.51
▸ HDAC5 Q9UQL6 10/20 0.51
▸ KCNH2 Q12809 4/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ NAMPT P43490 1/20 0.42

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
SCHEMBL16806686 0.90 HDAC1 (0.62) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL16806832 0.87 HDAC1 (0.61) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL16807256 0.85 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL16806864 0.83 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL16806846 0.82 HDAC1 (0.61) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL16806903 0.81 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL16807379 0.81 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL16807381 0.81 HDAC1 (0.59) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL16806839 0.80 HDAC1 (0.58) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL16806893 0.79 HDAC1 (0.55) HDAC1HDAC6HDAC3HDAC8HDAC4

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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