SCHEMBL11208191

SCHEMBL11208191

O=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(Br)c21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
POLB P06746 2/20 0.66
APEX1 P27695 1/20 0.66
CASP6 P55212 1/20 0.66
S100A4 P26447 4/20 0.62
PTPRC P08575 3/20 0.62
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
CSNK2A3 Q8NEV1 1/20 0.53
CYP3A4 P08684 3/20 0.50
TP53 P04637 2/20 0.50
HIF1A Q16665 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL5109566 0.89 MAPT (0.79) MAPTPOLBAPEX1CASP6S100A4
SCHEMBL11760203 0.85 S100A4 (0.71) MAPTPOLBAPEX1CASP6S100A4
SCHEMBL6905740 0.81 MEN1 (0.76) MAPTPOLBS100A4PTPRCALDH1A1
SCHEMBL10626504 0.79 MAPT (0.66) MAPTPOLBAPEX1CASP6S100A4
SCHEMBL2300618 0.79 MAPT (1.00) MAPTPOLBAPEX1CASP6S100A4
SCHEMBL10885326 0.79 S100A4 (0.68) MAPTPOLBAPEX1CASP6S100A4
SCHEMBL9174462 0.79 MAPT (0.66) MAPTPOLBAPEX1CASP6S100A4
SCHEMBL8777833 0.79 POLB (0.66) MAPTPOLBAPEX1CASP6S100A4
SCHEMBL8951807 0.78 CTSB (0.56) MAPTPOLBAPEX1CASP6S100A4
SCHEMBL10355857 0.77 CSNK2A2 (0.70) MAPTPOLBAPEX1CASP6S100A4

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-117757462-A Composite material, preparation method thereof and quantum dot light emitting diode TCL科技集团股份有限公司 2024-03-26 CN disclosed
EP-0021264-B1 PROCESS FOR THE DELIGNIFICATION OF LIGNOCELLULOSIC MATERIALS BAYER AG (DE) 1983-01-19 EP disclosed
US-4350566-A DIGESTION; WOOD PULPING; PAPERMAKING BAYER AKTIENGESELLSCHAFT (DE) 1982-09-21 US disclosed
EP-0027213-A1 Process for the production of cellulose by using dispersions of nitroanthraquinones BAYER AG (DE) 1981-04-22 EP disclosed
EP-0021264-A1 Process for the delignification of lignocellulosic materials BAYER AG (DE) 1981-01-07 EP disclosed