SCHEMBL29199019

SCHEMBL29199019

Cc1ccccc1[S+]([O-])c1[c]ccc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.44
HDAC4 P56524 12/20 0.44
HDAC1 Q13547 10/20 0.39
HDAC5 Q9UQL6 3/20 0.39
HDAC8 Q9BY41 5/20 0.38

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
SCHEMBL28929638 0.90 HDAC6 (0.44) HDAC6HDAC4HDAC1HDAC5HDAC8
SCHEMBL28661334 0.84 HDAC6 (0.43) HDAC6HDAC4HDAC1HDAC5HDAC8
SCHEMBL28673453 0.83 HDAC6 (0.48) HDAC6HDAC4HDAC1HDAC8
SCHEMBL28661328 0.83 HDAC6 (0.45) HDAC6HDAC4HDAC1HDAC8
SCHEMBL28673448 0.80 HDAC4 (0.43) HDAC6HDAC4HDAC1HDAC8
SCHEMBL20550318 0.80 HDAC4 (0.55) HDAC6HDAC4HDAC1HDAC5HDAC8
SCHEMBL28679005 0.80 HDAC4 (0.47) HDAC6HDAC4HDAC1HDAC5HDAC8
SCHEMBL28675064 0.79 HDAC4 (0.43) HDAC6HDAC4HDAC1
SCHEMBL28671277 0.78 HDAC6 (0.39) HDAC6HDAC4HDAC1HDAC5HDAC8
SCHEMBL28661338 0.78 HDAC6 (0.40) HDAC6HDAC4HDAC1HDAC5HDAC8

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 2 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-B Oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2024-04-30 CN disclosed