SCHEMBL8326566

SCHEMBL8326566

O=C(O)/C=C/c1ccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.49
▸ HDAC4 P56524 3/20 0.49
▸ HDAC1 Q13547 3/20 0.49
▸ HDAC7 Q8WUI4 3/20 0.49
▸ HDAC2 Q92769 3/20 0.49
▸ HDAC10 Q969S8 3/20 0.49
▸ HDAC11 Q96DB2 3/20 0.49
▸ HDAC8 Q9BY41 3/20 0.49
▸ HDAC6 Q9UBN7 3/20 0.49
▸ HDAC9 Q9UKV0 3/20 0.49
▸ HDAC5 Q9UQL6 3/20 0.49
▸ TBXAS1 P24557 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ RIPK1 Q13546 1/20 0.40
▸ BACE1 P56817 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ APEX1 P27695 1/20 0.39

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
SCHEMBL8321922 0.90 HDAC1 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8326216 0.87 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8321019 0.77 RIPK1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8326295 0.76 HDAC1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3947023 0.74 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL8325113 0.73 HDAC1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27589479 0.71 GAA (0.56) MAPTNPC1SMN1; SMN2L3MBTL1APEX1
SCHEMBL28199916 0.71 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL15228497 0.71 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL8328889 0.70 PKM (0.49) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1

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-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 — — WO disclosed
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