SCHEMBL29241997

SCHEMBL29241997

O=C(N=S)c1ccc(-c2noc(C(F)(F)F)n2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 20/20 0.60
HDAC6 Q9UBN7 14/20 0.60
HDAC1 Q13547 5/20 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
SCHEMBL14645825 0.85 HDAC4 (0.65) HDAC4HDAC6HDAC1
SCHEMBL28504077 0.84 HDAC4 (0.48) HDAC4HDAC6HDAC1
SCHEMBL18985131 0.84 HDAC4 (0.64) HDAC4HDAC6HDAC1
SCHEMBL22531083 0.84 HDAC4 (0.70) HDAC4HDAC6HDAC1
SCHEMBL29625964 0.84 HDAC4 (0.64) HDAC4HDAC6HDAC1
SCHEMBL30931870 0.84 HDAC4 (0.70) HDAC4HDAC6HDAC1
SCHEMBL28511763 0.82 HDAC4 (0.63) HDAC4HDAC6HDAC1
SCHEMBL22633667 0.81 HDAC4 (0.57) HDAC4HDAC6HDAC1
SCHEMBL21223603 0.80 HDAC4 (0.56) HDAC4HDAC6HDAC1
SCHEMBL21380548 0.80 HDAC4 (0.69) HDAC4HDAC6HDAC1

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
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