SCHEMBL20528693

SCHEMBL20528693

Fc1cc(-c2noc(C(F)(F)F)n2)cc(F)c1CBr

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.49
HDAC1 Q13547 9/20 0.49
HDAC5 Q9UQL6 3/20 0.49
HDAC4 P56524 11/20 0.47
HDAC8 Q9BY41 6/20 0.45

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
SCHEMBL20528687 0.85 HDAC6 (0.50) HDAC6HDAC1HDAC5HDAC4HDAC8
Hydrochloric Acid SCHEMBL20528697 0.84 HDAC6 (0.48) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL20528665 0.81 HDAC6 (0.65) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL8809864 0.80 HDAC4 (0.53) HDAC6HDAC1HDAC5HDAC4HDAC8
Hydrochloric Acid SCHEMBL20528696 0.78 HDAC4 (0.50) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL20528691 0.77 HDAC6 (0.47) HDAC6HDAC1HDAC5HDAC8
SCHEMBL20550218 0.76 HDAC6 (0.53) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL20550566 0.75 HDAC6 (0.52) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL18795958 0.75 HDAC6 (0.60) HDAC6HDAC1HDAC4HDAC8
SCHEMBL14645802 0.75 HDAC4 (0.58) HDAC6HDAC1HDAC5HDAC4HDAC8

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