SCHEMBL28929552

SCHEMBL28929552

FC(F)(Cl)c1nc(-c2cc[c]c(SCc3ccccc3)c2)no1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 8/20 0.39
HDAC6 Q9UBN7 15/20 0.39
HDAC1 Q13547 8/20 0.37
HDAC5 Q9UQL6 3/20 0.37
HDAC3 O15379 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 4/20 0.36
PTGS2 P35354 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACMSD Q8TDX5 1/20 0.34

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
SCHEMBL28655759 0.91 HDAC6 (0.48) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL28673829 0.90 DRD2 (0.37) HDAC4HDAC6HDAC1HDAC8LMNA
SCHEMBL28661348 0.82 HDAC6 (0.33) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL28659114 0.80 HDAC6 (0.45) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL28666245 0.78 HDAC4 (0.33) HDAC4HDAC6HDAC1HDAC8
SCHEMBL28929902 0.78 HDAC6 (0.48) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL28681722 0.77 HDAC6 (0.42) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL28660671 0.74 HDAC6 (0.35) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL28676799 0.74 HDAC6 (0.45) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL28665016 0.72 HDAC6 (0.39) HDAC4HDAC6HDAC1HDAC5HDAC8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113784958-B Oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2024-04-30 CN claimed
CN-113784958-A Novel oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2021-12-10 CN claimed
CN-113784958-B Oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2024-04-30 CN disclosed
CN-113784958-A Novel oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2021-12-10 CN disclosed