SCHEMBL28656148

SCHEMBL28656148

[O-][S+](c1[c]ccc(-c2noc(C(F)(F)F)n2)c1)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.45
HDAC4 P56524 10/20 0.45
HDAC1 Q13547 12/20 0.40
HDAC8 Q9BY41 3/20 0.39
HDAC5 Q9UQL6 2/20 0.35

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
SCHEMBL28661328 0.89 HDAC6 (0.45) HDAC6HDAC4HDAC1HDAC8
SCHEMBL28661338 0.89 HDAC6 (0.40) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL28661334 0.89 HDAC6 (0.43) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL28679005 0.83 HDAC4 (0.47) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL28673453 0.83 HDAC6 (0.48) HDAC6HDAC4HDAC1HDAC8
SCHEMBL28673448 0.79 HDAC4 (0.43) HDAC6HDAC4HDAC1HDAC8
SCHEMBL28929638 0.79 HDAC6 (0.44) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL29199019 0.78 HDAC6 (0.44) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL28675064 0.78 HDAC4 (0.43) HDAC6HDAC4HDAC1
SCHEMBL28671190 0.76 HDAC4 (0.55) HDAC6HDAC4HDAC1HDAC8

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