SCHEMBL28663178

SCHEMBL28663178

COc1ccc(Oc2[c]ccc(-c3noc(C(F)(F)F)n3)c2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.43
HDAC6 Q9UBN7 12/20 0.43
HDAC8 Q9BY41 3/20 0.43
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
HDAC4 P56524 3/20 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
SCHEMBL28673816 0.88 MAPT (0.41) HDAC1HDAC6HDAC8HDAC4HDAC5
SCHEMBL28669788 0.87 HDAC6 (0.42) HDAC1HDAC6HDAC8HDAC4HDAC5
SCHEMBL28660682 0.86 NR1H4 (0.46) HDAC1HDAC6HDAC8NR1H4HDAC4
SCHEMBL28669784 0.84 HDAC6 (0.40) HDAC1HDAC6HDAC8HDAC4HDAC5
SCHEMBL28655764 0.83 HDAC6 (0.53) HDAC1HDAC6HDAC8TUBB4ATUBB
SCHEMBL28663169 0.82 HDAC6 (0.47) HDAC1HDAC6HDAC8HDAC5MAPT
SCHEMBL28654893 0.82 HDAC6 (0.44) HDAC1HDAC6HDAC8HDAC4HDAC5
SCHEMBL28681727 0.81 CASP3 (0.43) HDAC1HDAC6HDAC8HDAC4HDAC5
SCHEMBL28659409 0.81 HDAC1 (0.45) HDAC1HDAC6HDAC8HDAC4HDAC5
SCHEMBL28669773 0.80 HDAC6 (0.44) HDAC1HDAC6HDAC8HDAC4HDAC5

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