SCHEMBL20528686

SCHEMBL20528686

CNCc1cc(F)c(-c2noc(C(F)(F)F)n2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.47
HDAC6 Q9UBN7 20/20 0.47
HDAC5 Q9UQL6 20/20 0.47
HDAC8 Q9BY41 9/20 0.47

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
SCHEMBL20528700 0.82 HDAC1 (0.47) HDAC1HDAC6HDAC5HDAC8
SCHEMBL20528678 0.78 HDAC6 (0.46) HDAC1HDAC6HDAC5HDAC8
SCHEMBL20528682 0.77 HDAC1 (0.51) HDAC1HDAC6HDAC5HDAC8
SCHEMBL21543834 0.73 HDAC6 (0.57) HDAC1HDAC6HDAC5HDAC8
SCHEMBL29966955 0.72 HDAC6 (0.39) HDAC1HDAC6HDAC5HDAC8
SCHEMBL29922625 0.72 HDAC6 (0.46) HDAC1HDAC6HDAC5HDAC8
SCHEMBL20528677 0.71 HDAC1 (0.44) HDAC1HDAC6HDAC5HDAC8
Hydrochloric Acid SCHEMBL29975002 0.71 HDAC6 (0.45) HDAC1HDAC6HDAC5HDAC8
SCHEMBL19476116 0.71 HDAC1 (0.59) HDAC1HDAC6HDAC5HDAC8
SCHEMBL29362560 0.71 HDAC1 (0.59) HDAC1HDAC6HDAC5HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018185211-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-10-11 WO disclosed
WO-2018184988-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-10-11 WO disclosed