SCHEMBL29381981

SCHEMBL29381981

CCOCc1cn2cc(-c3noc(C(F)(F)F)n3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.46
HDAC1 Q13547 12/20 0.46
HDAC5 Q9UQL6 9/20 0.46
HDAC4 P56524 8/20 0.44
HDAC8 Q9BY41 4/20 0.44

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
SCHEMBL29381568 0.82 HDAC6 (0.47) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL29379441 0.82 HDAC6 (0.47) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL29381830 0.82 HDAC4 (0.57) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL29379455 0.80 HDAC6 (0.43) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL22531331 0.78 HDAC4 (0.54) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL21033488 0.78 HDAC4 (0.53) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL29671693 0.78 HDAC4 (0.45) HDAC6HDAC1HDAC4HDAC8
SCHEMBL29381684 0.77 HDAC4 (0.49) HDAC6HDAC1HDAC4HDAC8
SCHEMBL22531679 0.77 HDAC4 (0.44) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL29379542 0.77 MAPT (0.51) HDAC6HDAC1HDAC5HDAC4HDAC8

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-3953353-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI Industries Ltd. (IN) 2022-02-16 EP claimed