SCHEMBL7570546

SCHEMBL7570546

Cc1cc[nH]c1C(=O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.72
MAPK13 O15264 11/20 0.72
MAPK12 P53778 11/20 0.72
MAPK11 Q15759 11/20 0.72
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
EPAS1 Q99814 1/20 0.42
CASP7 P55210 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRM1 Q13255 1/20 0.40
ATM Q13315 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
SCHEMBL7566205 0.86 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL6655015 0.84 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL7565453 0.83 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11TDP1
SCHEMBL6655495 0.83 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL7563806 0.81 MAPK13 (0.68) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL6658543 0.80 MAPK13 (0.80) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL6657882 0.80 MAPK13 (0.73) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL2197842 0.80 MAPK14 (0.79) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL7079569 0.80 MAPK13 (0.72) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL16634680 0.79 MAPK13 (0.71) MAPK14MAPK13MAPK12MAPK11MEN1

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
WO-2002083622-A2 NOVEL AMINOPHENYL KETONE DERIVATIVES LEO PHARMA A/S (DK) 2002-10-24 WO claimed
WO-2002083622-A2 NOVEL AMINOPHENYL KETONE DERIVATIVES LEO PHARMA A/S (DK) 2002-10-24 WO disclosed