SCHEMBL3829296

SCHEMBL3829296

O=C(COc1ccc(Br)nc1[N+](=O)[O-])Oc1ccc(Br)nc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
MAPT P10636 7/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
ALOX12 P18054 1/20 0.44
RAB9A P51151 7/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
S1PR4 O95977 3/20 0.42
HPGD P15428 1/20 0.42
NOD2 Q9HC29 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL15529186 0.88 ALDH1A1 (0.47) ALDH1A1MAPTHTTNPSR1L3MBTL1
SCHEMBL2921634 0.86 ALDH1A1 (0.47) ALDH1A1MAPTHTTNPSR1L3MBTL1
SCHEMBL2921638 0.86 ALDH1A1 (0.47) ALDH1A1MAPTHTTNPSR1L3MBTL1
SCHEMBL3072548 0.85 ALDH1A1 (0.48) ALDH1A1MAPTHTTNPSR1L3MBTL1
SCHEMBL30253292 0.85 ALDH1A1 (0.48) ALDH1A1MAPTHTTNPSR1L3MBTL1
SCHEMBL3829294 0.80 MAPT (0.44) ALDH1A1MAPTHTTNPSR1L3MBTL1
SCHEMBL3829304 0.80 MAPT (0.44) ALDH1A1MAPTHTTNPSR1L3MBTL1
SCHEMBL1812248 0.77 S1PR4 (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1810729 0.75 S1PR4 (0.51) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL30365901 0.75 NPC1 (0.49) ALDH1A1MAPTMEN1KMT2ALMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796466-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
EP-1846416-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-07-01 EP disclosed
EP-2007377-A2 ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2008-12-31 EP disclosed
EP-1846416-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-10-24 EP disclosed
WO-2007118130-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-10-18 WO disclosed
EP-1796466-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-06-20 EP disclosed
WO-2006081178-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-08-03 WO disclosed
WO-2006002047-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-05 WO disclosed