SCHEMBL27481963

SCHEMBL27481963

O=[N+]([O-])c1ccc(CCBr)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
NR1D1 P20393 7/20 0.46
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
PSMD14 O00487 1/20 0.42
NR1H3 Q13133 1/20 0.41
MAPK1 P28482 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
SCHEMBL7753003 0.84 MAPT (0.53) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL5182378 0.81 KMT2A (0.51) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL28992931 0.81 KMT2A (0.51) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL11537633 0.78 KMT2A (0.49) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL25486356 0.77 NR1D1 (0.53) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL8654197 0.77 KMT2A (0.48) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL14571796 0.77 MAPT (0.46) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL7048967 0.76 KMT2A (0.54) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL10160727 0.76 KMT2A (0.54) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL4880954 0.76 MAPT (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103242306-B A kind of bacterium nitroreduction enzyme detection kit and special fluorescent probe thereof INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-12 CN claimed
CN-103242306-A Bacteria nitroreductase detection kit and special-purpose fluorescence probe thereof CHINESE ACAD INST CHEMISTRY 2013-08-14 CN claimed
CN-103242306-B A kind of bacterium nitroreduction enzyme detection kit and special fluorescent probe thereof INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-12 CN disclosed
CN-103242306-A Bacteria nitroreductase detection kit and special-purpose fluorescence probe thereof CHINESE ACAD INST CHEMISTRY 2013-08-14 CN disclosed
CN-1151744-A Phosphonic acid compounds, their prodn. and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-06-11 CN disclosed