SCHEMBL22804392

SCHEMBL22804392

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

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.60
HDAC4 P56524 12/20 0.60
HDAC1 Q13547 13/20 0.53
HDAC8 Q9BY41 5/20 0.47
VNN1 O95497 1/20 0.46
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL22804366 0.91 HDAC6 (0.72) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL22804350 0.81 HDAC6 (0.59) HDAC6HDAC4HDAC1HDAC8
SCHEMBL22804389 0.81 HDAC6 (0.65) HDAC6HDAC4HDAC1HDAC8
SCHEMBL29582093 0.77 HDAC6 (0.62) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL29582327 0.76 HDAC6 (0.50) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL22804354 0.76 HDAC6 (0.50) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL22805252 0.76 HDAC6 (0.64) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL22824519 0.76 HDAC6 (0.48) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL29582560 0.76 HDAC6 (0.60) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14993680 0.75 HDAC6 (1.00) 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