SCHEMBL28499331

SCHEMBL28499331

O=C(N=S)c1ccc(-c2noc(C(F)(F)F)n2)nc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 20/20 0.60
HDAC1 Q13547 2/20 0.57
HDAC6 Q9UBN7 6/20 0.50

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
SCHEMBL14993731 0.84 HDAC4 (0.62) HDAC4HDAC1HDAC6
SCHEMBL29625967 0.83 HDAC4 (0.61) HDAC4HDAC1HDAC6
SCHEMBL28511763 0.81 HDAC4 (0.63) HDAC4HDAC1HDAC6
SCHEMBL21223255 0.79 HDAC4 (0.50) HDAC4HDAC1HDAC6
SCHEMBL28905977 0.77 HDAC4 (0.48) HDAC4HDAC1HDAC6
SCHEMBL21580571 0.77 HDAC4 (0.50) HDAC4HDAC1HDAC6
SCHEMBL2645669 0.76 HDAC4 (0.54) HDAC4HDAC1HDAC6
SCHEMBL21223694 0.76 HDAC4 (0.49) HDAC4HDAC1HDAC6
SCHEMBL28501431 0.76 HDAC4 (0.55) HDAC4HDAC1HDAC6
SCHEMBL28506632 0.76 HDAC1 (0.51) HDAC4HDAC1HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112004813-B Oxadiazole compounds for controlling phytopathogenic fungi PI工业有限公司 2024-03-29 CN claimed
CN-112004813-B Oxadiazole compounds for controlling phytopathogenic fungi PI工业有限公司 2024-03-29 CN disclosed
CN-112004813-A Oxadiazole compounds for controlling phytopathogenic fungi PI工业有限公司 2020-11-27 CN disclosed