SCHEMBL21825201

SCHEMBL21825201

CCCCOC(=O)N1CCC(Sc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 19/20 0.52
▸ HDAC6 Q9UBN7 11/20 0.52
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC1 Q13547 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
SCHEMBL21824953 0.86 HDAC4 (0.69) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL21886899 0.86 HDAC4 (0.69) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL21824850 0.84 HDAC4 (0.62) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL21824852 0.84 HDAC4 (0.62) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL21824796 0.83 HDAC4 (0.59) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL21824915 0.83 HDAC4 (0.59) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL21825063 0.79 HDAC4 (0.66) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL21825011 0.79 HDAC4 (0.66) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL21824900 0.79 HDAC4 (0.66) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL21825009 0.79 HDAC4 (0.66) HDAC4HDAC6HDAC8HDAC2HDAC1

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
EP-3860992-A1 NOVEL OXADIAZOLES PI Industries Ltd. (IN) 2021-08-11 — — EP disclosed
WO-2020070610-A1 NOVEL OXADIAZOLES PI INDUSTRIES LTD. (IN) 2020-04-09 — — WO disclosed
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