SCHEMBL22804366

SCHEMBL22804366

Fc1ccccc1CNc1ncc(-c2noc(C(F)(F)F)n2)cn1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 18/20 0.72
HDAC4 P56524 13/20 0.72
HDAC1 Q13547 14/20 0.64
HDAC8 Q9BY41 5/20 0.57
HDAC5 Q9UQL6 1/20 0.54

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
SCHEMBL22804392 0.91 HDAC6 (0.60) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14993680 0.84 HDAC6 (1.00) HDAC6HDAC4HDAC1HDAC8
SCHEMBL22805252 0.82 HDAC6 (0.64) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL22804992 0.81 HDAC6 (0.72) HDAC6HDAC4HDAC1HDAC8
SCHEMBL22574798 0.81 HDAC6 (0.61) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL22804342 0.80 HDAC6 (0.78) HDAC6HDAC4HDAC1HDAC8
SCHEMBL22804924 0.80 HDAC6 (0.70) HDAC6HDAC4HDAC1HDAC8
SCHEMBL14934190 0.79 HDAC6 (0.62) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14993220 0.78 HDAC6 (1.00) HDAC6HDAC4HDAC1HDAC8
SCHEMBL25366383 0.78 HDAC6 (0.68) HDAC6HDAC4HDAC1HDAC8

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