SCHEMBL20528684

SCHEMBL20528684

CONCc1cc(F)c(-c2noc(C(F)(F)F)n2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.46
HDAC6 Q9UBN7 20/20 0.46
HDAC5 Q9UQL6 18/20 0.46
HDAC8 Q9BY41 14/20 0.46

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
SCHEMBL20448861 0.85 HDAC1 (0.62) HDAC1HDAC6HDAC5HDAC8
SCHEMBL19053198 0.80 HDAC6 (0.63) HDAC1HDAC6HDAC8
SCHEMBL20528691 0.77 HDAC6 (0.47) HDAC1HDAC6HDAC5HDAC8
SCHEMBL29974827 0.76 HDAC1 (0.53) HDAC1HDAC6HDAC5HDAC8
SCHEMBL20528673 0.75 HDAC6 (0.45) HDAC1HDAC6HDAC5HDAC8
SCHEMBL20448878 0.73 HDAC6 (0.43) HDAC1HDAC6HDAC5HDAC8
SCHEMBL29362835 0.73 HDAC6 (0.43) HDAC1HDAC6HDAC5HDAC8
SCHEMBL22076000 0.73 HDAC6 (0.42) HDAC1HDAC6HDAC8
SCHEMBL20448905 0.71 HDAC6 (0.70) HDAC1HDAC6HDAC5HDAC8
SCHEMBL22068852 0.70 HDAC6 (0.57) HDAC1HDAC6HDAC8

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
WO-2018184988-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-10-11 WO disclosed