SCHEMBL4386633

SCHEMBL4386633

O=[N+]([O-])c1cc(OCCc2ccc(Br)cc2)ccc1Sc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
PDE7A Q13946 3/20 0.38
PDE7B Q9NP56 2/20 0.38
GSTP1 P09211 1/20 0.38
GSTM2 P28161 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5064335 0.89 MAPT (0.41) MAPTALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL2961961 0.86 MAPT (0.51) MAPTALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL810779 0.79 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL811151 0.79 MAPT (0.48) MAPTALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL810343 0.79 MAPT (0.50) MAPTALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL5067776 0.78 PDE7A (0.53) MAPTALDH1A1SMN1; SMN2TDP1NPSR1
SCHEMBL809916 0.77 MAPT (0.46) MAPTALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL811364 0.76 AGER (0.52) MAPTALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL4382272 0.76 MAOA (0.49) MAPTALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL811413 0.74 PDE7A (0.48) MAPTALDH1A1MAOAMAOBPDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed