SCHEMBL16806841

SCHEMBL16806841

O=C(/C=C/c1ccc(CN(CCO)CCc2cnc3[nH]ccc3c2)c(F)c1)NO

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.59
▸ HDAC3 O15379 11/20 0.59
▸ HDAC6 Q9UBN7 11/20 0.59
▸ HDAC2 Q92769 11/20 0.59
▸ HDAC8 Q9BY41 10/20 0.59
▸ HDAC5 Q9UQL6 8/20 0.59
▸ HDAC4 P56524 7/20 0.59
▸ HDAC10 Q969S8 7/20 0.59
▸ HDAC7 Q8WUI4 6/20 0.59
▸ HDAC11 Q96DB2 6/20 0.59
▸ HDAC9 Q9UKV0 6/20 0.59
▸ KCNH2 Q12809 4/20 0.47
▸ CYP3A4 P08684 1/20 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
SCHEMBL16806880 0.89 HDAC1 (0.72) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL16806834 0.87 HDAC1 (0.54) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL16806848 0.85 HDAC1 (0.59) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL16806801 0.84 HDAC1 (0.48) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL16806901 0.84 HDAC1 (0.53) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL16806846 0.83 HDAC1 (0.61) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL16806833 0.82 HDAC1 (0.55) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL16807379 0.82 HDAC1 (0.49) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL16806755 0.81 HDAC1 (0.51) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL16806790 0.78 HDAC1 (0.61) HDAC1HDAC3HDAC6HDAC2HDAC8

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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