SCHEMBL28656017

SCHEMBL28656017

CC(C)Sc1[c]ccc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 19/20 0.44
HDAC6 Q9UBN7 13/20 0.42
HDAC1 Q13547 6/20 0.41

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
SCHEMBL28659384 0.84 HDAC4 (0.42) HDAC4HDAC6HDAC1
SCHEMBL28656023 0.81 HDAC4 (0.46) HDAC4HDAC6HDAC1
SCHEMBL28671185 0.80 HDAC4 (0.47) HDAC4HDAC6HDAC1
SCHEMBL28661333 0.80 HDAC6 (0.44) HDAC4HDAC6HDAC1
SCHEMBL28676799 0.79 HDAC6 (0.45) HDAC4HDAC6HDAC1
SCHEMBL28929900 0.78 HDAC6 (0.46) HDAC6HDAC1
SCHEMBL28655776 0.78 HDAC6 (0.44) HDAC4HDAC6HDAC1
SCHEMBL28675064 0.78 HDAC4 (0.43) HDAC4HDAC6HDAC1
SCHEMBL29199024 0.77 HDAC6 (0.46) HDAC4HDAC6HDAC1
SCHEMBL28659405 0.76 HDAC4 (0.47) HDAC4HDAC6HDAC1

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