SCHEMBL16807380

SCHEMBL16807380

O=C(/C=C/c1ccc(CNCCc2ccnc3[nH]ccc23)nc1)NO

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.59
▸ HDAC6 Q9UBN7 12/20 0.47
▸ HDAC2 Q92769 10/20 0.47
▸ HDAC3 O15379 9/20 0.47
▸ HDAC4 P56524 9/20 0.47
▸ HDAC7 Q8WUI4 9/20 0.47
▸ HDAC8 Q9BY41 9/20 0.47
▸ HDAC9 Q9UKV0 9/20 0.47
▸ HDAC5 Q9UQL6 9/20 0.47
▸ HDAC10 Q969S8 8/20 0.47
▸ HDAC11 Q96DB2 8/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ JAK2 O60674 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
SCHEMBL16807371 0.89 HDAC1 (0.73) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL16807375 0.85 HDAC1 (0.63) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL16807376 0.84 HDAC1 (0.56) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL16807381 0.82 HDAC1 (0.59) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL16806892 0.81 HDAC1 (0.47) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL16806895 0.80 HDAC1 (0.48) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL16806688 0.78 HDAC1 (0.58) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL16806792 0.77 HDAC1 (0.55) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL16806857 0.76 HDAC1 (0.52) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL16806881 0.76 HDAC1 (0.55) HDAC1HDAC6HDAC2HDAC3HDAC4

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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