SCHEMBL29598564

SCHEMBL29598564

NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1-c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.55
HDAC1 Q13547 9/20 0.55
HDAC8 Q9BY41 7/20 0.55
HDAC4 P56524 10/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL21806679 0.90 HDAC6 (0.58) HDAC6HDAC1HDAC8HDAC4NPC1
SCHEMBL29598078 0.89 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC4
SCHEMBL29598593 0.86 HDAC4 (0.60) HDAC6HDAC1HDAC8HDAC4
SCHEMBL32679148 0.85 NPC1 (0.56) HDAC6HDAC1HDAC8HDAC4NPC1
SCHEMBL32679146 0.85 NPC1 (0.56) HDAC6HDAC1HDAC8HDAC4NPC1
SCHEMBL29598120 0.84 HDAC4 (0.66) HDAC6HDAC1HDAC8HDAC4
SCHEMBL29599140 0.83 S1PR1 (0.53) HDAC6HDAC1HDAC8HDAC4
SCHEMBL29598904 0.82 HDAC4 (0.48) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL29598890 0.82 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC4NPC1
SCHEMBL29598975 0.82 HDAC4 (0.49) HDAC6HDAC1HDAC8HDAC4

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-114605344-B Oxadiazole compound, preparation method and application 西北农林科技大学 2024-10-11 CN disclosed
CN-114605344-A Oxadiazole compound, preparation method and application 西北农林科技大学 2022-06-10 CN disclosed