SCHEMBL7341967

SCHEMBL7341967

CN(OC(C)(C)C)C(=O)c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.49
▸ MAPK12 P53778 1/20 0.49
▸ MAPK11 Q15759 1/20 0.49
▸ MAPK14 Q16539 1/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.46
▸ MAPT P10636 7/20 0.44
▸ GAA P10253 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ HTT P42858 3/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ CASP3 P42574 2/20 0.42
▸ SENP7 Q9BQF6 2/20 0.42
▸ MEN1 O00255 7/20 0.42
▸ KMT2A Q03164 7/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41

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
SCHEMBL9479734 0.79 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14HDAC6
SCHEMBL7350991 0.72 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14HDAC6
SCHEMBL24512636 0.70 RHOA (0.48) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL71303 0.70 TSHR (0.69) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL9478869 0.69 MAPT (0.71) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL1930247 0.69 MAPT (0.71) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2742816 0.68 MAPK13 (0.95) MAPK13MAPK12MAPK11MAPK14MAPT
Diphenylamine SCHEMBL10651863 0.68 MAPT (0.57) MAPK13MAPK12MAPK11MAPK14MAPT
4-Phenylamino Benzoic Acid SCHEMBL70190 0.68 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL9479471 0.68 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14MAPT

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
EP-0585500-A1 Diaryl piperazineacetamides as antimuscarinic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-09 — — EP disclosed
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