SCHEMBL25366208

SCHEMBL25366208

O=c1c(NCc2ccc(-c3noc(C(F)(F)Cl)n3)cc2)c(Nc2cccnc2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.64
HDAC1 Q13547 17/20 0.64
HDAC8 Q9BY41 14/20 0.64
HDAC4 P56524 5/20 0.48

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
SCHEMBL29376758 1.00 HDAC6 (0.64) HDAC6HDAC1HDAC8HDAC4
SCHEMBL22529825 0.90 HDAC6 (0.62) HDAC6HDAC1HDAC8HDAC4
SCHEMBL22529994 0.89 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC4
SCHEMBL25369664 0.89 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC4
SCHEMBL29374008 0.89 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC4
SCHEMBL29975459 0.87 HDAC6 (0.83) HDAC6HDAC1HDAC8HDAC4
SCHEMBL22529791 0.85 MAPKAPK2 (0.50) HDAC6HDAC1HDAC8HDAC4
SCHEMBL22530582 0.85 HDAC6 (0.62) HDAC6HDAC1HDAC8HDAC4
SCHEMBL25368909 0.85 CHEK1 (0.53) HDAC6HDAC1HDAC8HDAC4
SCHEMBL22530599 0.84 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3953340-B1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD (IN) 2023-08-02 EP claimed
CN-114026077-A Novel oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2022-02-08 CN claimed
CN-114026077-A Novel oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2022-02-08 CN disclosed