SCHEMBL1937601

SCHEMBL1937601

O=CCc1ccc([N+](=O)[O-])s1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KDM4E B2RXH2 4/20 0.50
HTT P42858 4/20 0.50
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 8/20 0.47
MEN1 O00255 6/20 0.47
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
NR1D1 P20393 7/20 0.42
MAPK1 P28482 1/20 0.40
NR1H3 Q13133 3/20 0.39
PSMD14 O00487 1/20 0.39

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
SCHEMBL9231883 0.79 MAPT (0.47) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL28991326 0.77 MAPT (0.46) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL31467963 0.76
SCHEMBL7753003 0.76 MAPT (0.53) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL4880954 0.76 MAPT (0.53) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL7048967 0.76 KMT2A (0.54) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL960965 0.76 MAPT (0.53) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL10160727 0.76 KMT2A (0.54) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL6261093 0.73 MAPT (0.52) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL8423313 0.73 MAPT (0.50) MAPTKDM4EHTTALDH1A1L3MBTL1

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
EP-2331532-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025851-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed