SCHEMBL5206028

SCHEMBL5206028

CC(C)(C)N(Cc1ccc(Nc2ccccc2[N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CASP7 P55210 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 4/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
GAA P10253 2/20 0.56
PKM P14618 1/20 0.56
NPSR1 Q6W5P4 1/20 0.48
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
POLB P06746 1/20 0.46
HCAR3 P49019 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL5206034 1.00 MAPK1 (0.57) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL5201785 0.80 MAPK13 (0.54) TDP1ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL1408481 0.79 MAPK1 (0.67) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL27226881 0.77 MAPT (0.69) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL27898835 0.77 MAPK1 (0.73) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL3909830 0.77 MAPK1 (0.73) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL15082040 0.77 L3MBTL1 (0.68) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL5202945 0.77 ALDH1A1 (0.48) TDP1ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL13939148 0.77 ALDH1A1 (0.63) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL6177114 0.77 MAPK1 (0.63) MAPK1TDP1ALDH1A1CASP7L3MBTL1

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-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed