SCHEMBL11008836

SCHEMBL11008836

CN(C)C(=O)Nc1cccc(C#CC(C)(C)O)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.52
▸ PNPLA2 Q96AD5 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ PTPN11 Q06124 1/20 0.44
▸ PDK1 Q15118 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ PDK3 Q15120 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ APEX1 P27695 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ HAO1 Q9UJM8 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL11015134 0.87 MEN1 (0.45) TP53PTPN11PDK1PDK2PDK3
SCHEMBL845317 0.84 GRM5 (0.52) TP53PTPN11PDK1PDK2PDK3
SCHEMBL4610082 0.78 ALDH1A1 (0.60) TP53PNPLA2HDAC6PDK1PDK2
SCHEMBL13400502 0.77 KCNK3 (0.50) EGFRLMNAL3MBTL1
SCHEMBL2889973 0.77 EGFR (0.49) PTPN11PDK1PDK2PDK3PDK4
SCHEMBL31536232 0.77 EGFR (0.49) PTPN11PDK1PDK2PDK3PDK4
SCHEMBL19019393 0.77 TP53 (0.69) TP53PNPLA2HDAC6APEX1
SCHEMBL13132819 0.76 L3MBTL1 (0.47) LMNAL3MBTL1
SCHEMBL13023070 0.76 LMNA (0.47) PTPN11PDK1PDK2PDK3PDK4
SCHEMBL13132849 0.76 SIRT1 (0.49) LMNAL3MBTL1

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
US-4519834-A Herbicidal ethynyl-phenylureas CIBA-GEIGY CORPORATION (US) 1985-05-28 — — US claimed
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