SCHEMBL20528678

SCHEMBL20528678

CNC(=O)N(C)Cc1cc(F)c(-c2noc(C(F)(F)F)n2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.46
HDAC1 Q13547 7/20 0.46
HDAC5 Q9UQL6 3/20 0.46
HDAC8 Q9BY41 4/20 0.44
HDAC4 P56524 15/20 0.44
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL20528686 0.78 HDAC1 (0.47) HDAC6HDAC1HDAC5HDAC8
SCHEMBL21899954 0.76 HDAC4 (0.69) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL20528700 0.74 HDAC1 (0.47) HDAC6HDAC1HDAC5HDAC8
SCHEMBL22076049 0.74 HDAC4 (0.48) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL20448880 0.73 HDAC1 (0.58) HDAC6HDAC1HDAC5HDAC8
SCHEMBL29975221 0.70 HDAC1 (0.43) HDAC6HDAC1HDAC5HDAC8
SCHEMBL20528682 0.70 HDAC1 (0.51) HDAC6HDAC1HDAC5HDAC8
SCHEMBL20528694 0.69 HDAC6 (0.45) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL21380538 0.68 HDAC6 (0.55) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL23161638 0.67 HDAC1 (0.53) HDAC6HDAC1HDAC5HDAC8

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