SCHEMBL28655759

SCHEMBL28655759

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.48
HDAC4 P56524 9/20 0.48
HDAC1 Q13547 12/20 0.45
HDAC5 Q9UQL6 3/20 0.45
HDAC3 O15379 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 7/20 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
SCHEMBL28929552 0.91 HDAC4 (0.39) HDAC6HDAC4HDAC1HDAC5HDAC3
SCHEMBL28929902 0.86 HDAC6 (0.48) HDAC6HDAC4HDAC1HDAC5HDAC8
SCHEMBL28676799 0.82 HDAC6 (0.45) HDAC6HDAC4HDAC1HDAC5HDAC8
SCHEMBL28673829 0.81 DRD2 (0.37) HDAC6HDAC4HDAC1HDAC8
SCHEMBL28665016 0.81 HDAC6 (0.39) HDAC6HDAC4HDAC1HDAC5HDAC8
SCHEMBL20550150 0.78 HDAC6 (0.57) HDAC6HDAC4HDAC1HDAC5HDAC3
SCHEMBL20550145 0.77 HDAC6 (0.49) HDAC6HDAC4HDAC1HDAC5HDAC3
SCHEMBL28663174 0.77 HDAC6 (0.48) HDAC6HDAC4HDAC1HDAC5HDAC8
SCHEMBL28659384 0.77 HDAC4 (0.42) HDAC6HDAC4HDAC1HDAC8
SCHEMBL28929900 0.77 HDAC6 (0.46) HDAC6HDAC1HDAC5HDAC8

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