SCHEMBL22727981

SCHEMBL22727981

CNCCn1cc(NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ NCOR2 Q9Y618 1/20 0.52
▸ SCD O00767 2/20 0.47
▸ AR P10275 4/20 0.46
▸ MAPK14 Q16539 1/20 0.42
▸ CYP17A1 P05093 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ ACHE P22303 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ MAPKAPK2 P49137 3/20 0.37
▸ RORC P51449 1/20 0.37
▸ SCD5 Q86SK9 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL28321163 0.90 HDAC3 (0.52) HDAC3HDAC8NCOR2SCDAR
SCHEMBL27797896 0.84 HDAC3 (0.52) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31644307 0.84 HDAC3 (0.52) HDAC3HDAC8NCOR2SCDAR
SCHEMBL28375889 0.83 HDAC8 (0.53) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31319590 0.83 HDAC3 (0.51) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31319639 0.81 HDAC3 (0.49) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31319666 0.80 HDAC3 (0.48) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31319588 0.80 AR (0.56) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31319580 0.80 AR (0.56) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31319701 0.79 AR (0.48) HDAC3HDAC8NCOR2SCDAR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020243373-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-03 — — WO disclosed
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