SCHEMBL28663161

SCHEMBL28663161

COc1ccc(C[S+]([O-])c2[c]ccc(-c3noc(C(F)(F)F)n3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.46
HDAC1 Q13547 12/20 0.46
HDAC8 Q9BY41 7/20 0.46
HDAC5 Q9UQL6 8/20 0.42
NR1H4 Q96RI1 1/20 0.41
HDAC4 P56524 6/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL28661480 0.87 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL28929902 0.78 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC5NR1H4
SCHEMBL28660682 0.77 NR1H4 (0.46) HDAC6HDAC1HDAC8HDAC5NR1H4
SCHEMBL28673448 0.77 HDAC4 (0.43) HDAC6HDAC1HDAC8HDAC4
SCHEMBL28671189 0.77 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC5NR1H4
SCHEMBL28675064 0.76 HDAC4 (0.43) HDAC6HDAC1HDAC4
SCHEMBL28659250 0.74 NR1H4 (0.44) HDAC6HDAC1HDAC8HDAC5NR1H4
SCHEMBL28929903 0.74 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC5NR1H4
SCHEMBL28661328 0.73 HDAC6 (0.45) HDAC6HDAC1HDAC8HDAC4
SCHEMBL7296994 0.73 HDAC6 (0.59) HDAC6HDAC1HDAC8NR1H4HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113784958-B Oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2024-04-30 CN claimed
CN-113784958-A Novel oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2021-12-10 CN claimed
CN-113784958-B Oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2024-04-30 CN disclosed
CN-113784958-A Novel oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2021-12-10 CN disclosed