SCHEMBL29242012

SCHEMBL29242012

FC(F)(F)c1nc(-c2ccccc2-c2cc[c]cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.46
HDAC4 P56524 12/20 0.46
HDAC1 Q13547 12/20 0.43
HDAC8 Q9BY41 9/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL6345954 0.84 HDAC4 (0.54) HDAC6HDAC4HDAC1HDAC8
SCHEMBL17315868 0.75 HDAC6 (0.47) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL27897967 0.75 CASP3 (0.62) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL28943575 0.75 HDAC6 (0.43) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL28354210 0.75 HDAC1 (0.46) HDAC6HDAC1HDAC8HDAC5
SCHEMBL10552640 0.74 HDAC4 (0.62) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL6173198 0.73 HDAC6 (0.46) HDAC6HDAC4HDAC1HDAC8
SCHEMBL18920719 0.72 HDAC6 (0.44) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL18824381 0.71 HDAC4 (0.66) HDAC6HDAC4HDAC1HDAC8
SCHEMBL29625977 0.71 HDAC4 (0.63) HDAC6HDAC4HDAC1HDAC8HDAC5

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
CN-112004813-B Oxadiazole compounds for controlling phytopathogenic fungi PI工业有限公司 2024-03-29 CN disclosed