SCHEMBL28655776

SCHEMBL28655776

FC(F)(F)c1nc(-c2cc[c]c(Sc3ccncc3)c2)no1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.44
HDAC1 Q13547 15/20 0.44
HDAC4 P56524 10/20 0.44
HDAC8 Q9BY41 4/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
HDAC5 Q9UQL6 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL28676799 0.89 HDAC6 (0.45) HDAC6HDAC1HDAC4HDAC8HDAC5
SCHEMBL28663157 0.87 HDAC6 (0.44) HDAC6HDAC1HDAC4HDAC8HDAC5
SCHEMBL28661333 0.87 HDAC6 (0.44) HDAC6HDAC1HDAC4HDAC8HDAC5
SCHEMBL28669778 0.85 HDAC6 (0.42) HDAC6HDAC1HDAC4HDAC8HDAC5
SCHEMBL28659250 0.84 NR1H4 (0.44) HDAC6HDAC1HDAC4HDAC8HDAC5
SCHEMBL28929900 0.83 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC5
SCHEMBL28669491 0.83 HDAC6 (0.47) HDAC6HDAC1HDAC4HDAC8HDAC5
SCHEMBL28654901 0.83 HDAC6 (0.41) HDAC6HDAC1HDAC4HDAC8HDAC5
SCHEMBL28654906 0.82 HDAC6 (0.46) HDAC6HDAC1HDAC4HDAC8HDAC5
SCHEMBL28661491 0.82 HDAC6 (0.46) HDAC6HDAC1HDAC4HDAC8HDAC5

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