SCHEMBL16807381

SCHEMBL16807381

O=C(/C=C/c1ccc(CNCCc2ccnc3[nH]ccc23)cn1)NO

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.59
▸ HDAC6 Q9UBN7 11/20 0.47
▸ HDAC3 O15379 10/20 0.47
▸ HDAC4 P56524 10/20 0.47
▸ HDAC7 Q8WUI4 10/20 0.47
▸ HDAC2 Q92769 10/20 0.47
▸ HDAC8 Q9BY41 10/20 0.47
▸ HDAC9 Q9UKV0 10/20 0.47
▸ HDAC5 Q9UQL6 10/20 0.47
▸ HDAC10 Q969S8 9/20 0.47
▸ HDAC11 Q96DB2 9/20 0.47
▸ KCNH2 Q12809 2/20 0.47

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
SCHEMBL16807371 0.89 HDAC1 (0.73) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806665 0.85 HDAC1 (0.58) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806792 0.83 HDAC1 (0.55) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16807380 0.82 HDAC1 (0.59) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16807377 0.81 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806842 0.80 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806890 0.80 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806868 0.79 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16807376 0.78 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806845 0.77 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7

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