SCHEMBL28700402

SCHEMBL28700402

FC(F)(F)c1nc(-c2[c]cc(CC3CC3)cc2)no1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 8/20 0.45
HDAC6 Q9UBN7 14/20 0.44
HDAC1 Q13547 11/20 0.42
HDAC8 Q9BY41 9/20 0.42
HDAC5 Q9UQL6 3/20 0.42
CNR2 P34972 1/20 0.39

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
SCHEMBL21175684 0.80 HDAC4 (0.64) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL28711333 0.71 HDAC6 (0.43) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL2761955 0.69 TEAD1 (0.35)
SCHEMBL21175912 0.68 HDAC4 (0.61) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL28765750 0.68 HDAC6 (0.43) HDAC4HDAC6HDAC1HDAC8
SCHEMBL20521164 0.67 HDAC6 (0.67) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL23650454 0.65 HDAC6 (0.58) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL23650106 0.64 HDAC6 (0.56) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL28679095 0.64 CNR2 (0.50) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL29024210 0.63 HDAC6 (0.57) HDAC4HDAC6HDAC1HDAC8HDAC5

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-108368098-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2022-01-28 CN disclosed