SCHEMBL29627668

SCHEMBL29627668

Cn1nc(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1C(=O)NCC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 19/20 0.53
▸ HDAC6 Q9UBN7 14/20 0.51
▸ HDAC1 Q13547 3/20 0.51
▸ HDAC3 O15379 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL29058586 0.85 HDAC4 (0.53) HDAC4HDAC6HDAC1
SCHEMBL19463739 0.84 HDAC4 (0.59) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL29627671 0.83 HDAC4 (0.53) HDAC4HDAC6HDAC1HDAC8
SCHEMBL29627669 0.77 HDAC4 (0.56) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL21702468 0.75 HDAC4 (0.46) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL23804449 0.75 HDAC4 (0.54) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL27207769 0.74 HDAC4 (0.53) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL23566448 0.73 HDAC6 (0.65) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL20521114 0.73 HDAC4 (0.58) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL21900094 0.72 HDAC4 (0.64) HDAC4HDAC6HDAC1HDAC3HDAC7

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
EP-4262396-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES FMC CORPORATION (US) 2023-10-25 — — EP claimed
WO-2022133114-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES FMC CORPORATION (US) 2022-06-23 — — WO claimed
EP-4262396-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES FMC CORPORATION (US) 2023-10-25 — — EP disclosed
WO-2022133114-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES FMC CORPORATION (US) 2022-06-23 — — WO disclosed
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