SCHEMBL3829304

SCHEMBL3829304

O=C(O)COc1ccc(Br)nc1[N+](=O)[O-].O=[N+]([O-])c1nc(Br)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
S1PR4 O95977 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
ALOX12 P18054 1/20 0.41
KDM6B O15054 1/20 0.40
FTO Q9C0B1 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
SCHEMBL3829294 1.00 MAPT (0.44) MAPTL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL2921634 0.93 ALDH1A1 (0.47) MAPTL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL2921638 0.93 ALDH1A1 (0.47) MAPTL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL15529186 0.82 ALDH1A1 (0.47) MAPTL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL3829296 0.80 ALDH1A1 (0.45) MAPTL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL1809848 0.80 SMN1; SMN2 (0.37) MAPTL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL30152695 0.80 SMN1; SMN2 (0.37) MAPTL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL30253292 0.77 ALDH1A1 (0.48) MAPTL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL3072548 0.77 ALDH1A1 (0.48) MAPTL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL1812248 0.74 S1PR4 (0.52) MAPTALDH1A1RAB9ANPC1SMN1; SMN2

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