SCHEMBL25367176

SCHEMBL25367176

O=c1c(NCc2ccc(-c3noc(C(F)(F)F)n3)cc2)c(Nc2cccc(F)c2)c1=O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.76
HDAC1 Q13547 16/20 0.76
HDAC8 Q9BY41 15/20 0.76
HDAC4 P56524 3/20 0.56

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
SCHEMBL25367504 0.90 HDAC6 (0.72) HDAC6HDAC1HDAC8HDAC4
SCHEMBL30480328 0.90 HDAC6 (0.72) HDAC6HDAC1HDAC8HDAC4
SCHEMBL22530285 0.89 HDAC6 (0.61) HDAC6HDAC1HDAC8HDAC4
SCHEMBL22530561 0.87 HDAC6 (0.78) HDAC6HDAC1HDAC8
SCHEMBL19745047 0.87 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC4
SCHEMBL25366954 0.86 HDAC6 (0.76) HDAC6HDAC1HDAC8HDAC4
SCHEMBL22529763 0.84 HDAC6 (0.61) HDAC6HDAC1HDAC8HDAC4
SCHEMBL25367060 0.83 HDAC6 (0.67) HDAC6HDAC1HDAC8HDAC4
SCHEMBL22529814 0.83 HDAC6 (0.60) HDAC6HDAC1HDAC8HDAC4
SCHEMBL22529740 0.83 HDAC6 (0.59) 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 1 patent. 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 disclosed