SCHEMBL458489

SCHEMBL458489

O=[N+]([O-])c1cc(Br)cc2nn(C3CCCCO3)cc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
FLT3 P36888 1/20 0.33
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33
ABL1 P00519 1/20 0.33
WNK1 Q9H4A3 2/20 0.31
KMT2A Q03164 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP2C19 P33261 1/20 0.30
AKR1B1 P15121 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL113156 0.81 POLB (0.41) ALDH1A1POLBMAPTABL1KMT2A
SCHEMBL457479 0.80 CYP2C19 (0.33) ALDH1A1POLBFLT3SYKAURKB
SCHEMBL27401949 0.80 ABL1 (0.34) ALDH1A1POLBMAPTFLT3SYK
SCHEMBL1118861 0.79 RXFP1 (0.38) ALDH1A1POLBMAPTFLT3SYK
SCHEMBL1118896 0.77 TP53 (0.34) ALDH1A1POLBMAPTFLT3SYK
SCHEMBL30161705 0.77 RXRA (0.39) ALDH1A1POLBWNK1KMT2AMEN1
SCHEMBL20699373 0.77 RXRA (0.39) ALDH1A1POLBWNK1KMT2AMEN1
SCHEMBL1119821 0.76 ATR (0.41) ALDH1A1MAPTABL1KMT2AMEN1
SCHEMBL1118871 0.75 DHFR (0.34) FLT3SYKAURKBABL1
SCHEMBL31210893 0.75 LMNA (0.36) ALDH1A1MAPTFLT3SYKAURKB

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP disclosed
EP-2280705-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-10-08 EP disclosed
EP-2280705-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-10-08 EP disclosed
US-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 US disclosed
US-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 US disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
EP-2300437-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES Glaxo Group Limited (GB) 2011-03-30 EP disclosed
EP-2280959-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2011-02-09 EP disclosed
EP-2280946-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES Glaxo Group Limited (GB) 2011-02-09 EP disclosed
EP-2280705-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2011-02-09 EP disclosed
WO-2009147189-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed
WO-2009147189-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed
WO-2009147188-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed
WO-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed
WO-2009147188-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed
WO-2009147190-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed