SCHEMBL22804342

SCHEMBL22804342

Fc1cccc(CNc2ncc(-c3noc(C(F)(F)F)n3)cn2)n1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.78
HDAC1 Q13547 16/20 0.78
HDAC4 P56524 10/20 0.78
HDAC8 Q9BY41 10/20 0.56

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
SCHEMBL22804389 0.91 HDAC6 (0.65) HDAC6HDAC1HDAC4HDAC8
SCHEMBL14993956 0.87 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC8
SCHEMBL22804992 0.85 HDAC6 (0.72) HDAC6HDAC1HDAC4HDAC8
SCHEMBL22804924 0.81 HDAC6 (0.70) HDAC6HDAC1HDAC4HDAC8
SCHEMBL14993680 0.81 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC8
SCHEMBL22804366 0.80 HDAC6 (0.72) HDAC6HDAC1HDAC4HDAC8
SCHEMBL22805252 0.79 HDAC6 (0.64) HDAC6HDAC1HDAC4HDAC8
SCHEMBL14993220 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC8
SCHEMBL14995722 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC8
SCHEMBL14993577 0.74 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC8

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
EP-3986889-A1 FUNGICIDAL OXADIAZOLES Bayer Aktiengesellschaft (DE) 2022-04-27 EP disclosed
WO-2020254494-A1 FUNGICIDAL OXADIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 2020-12-24 WO disclosed