SCHEMBL7011752

SCHEMBL7011752

Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(Sc2ccc3[nH]c(NC(=O)O)nc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.51
POLB P06746 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 11/20 0.47
KMT2A Q03164 11/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MYOC Q99972 1/20 0.47
MAPK1 P28482 4/20 0.46
IRAK4 Q9NWZ3 1/20 0.44
KDR P35968 1/20 0.43
TEK Q02763 1/20 0.43
APEX1 P27695 1/20 0.43
MMP1 P03956 1/20 0.43
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DDX3X O00571 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
SCHEMBL7011747 1.00 MAPT (0.51) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL5341763 0.92 TEK (0.53) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL7101420 0.90 MEN1 (0.54) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL7101422 0.90 MEN1 (0.54) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL7103567 0.86 MAPT (0.51) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL7103564 0.86 MAPT (0.51) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL14375460 0.85 TEK (0.61) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL5345721 0.83 TEK (0.64) MAPTMEN1KMT2AKDRTEK
SCHEMBL5347951 0.79 KDR (0.57) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL7102856 0.77 MEN1 (0.47) MEN1KMT2AKDRTEKMMP1

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-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 EP claimed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 WO claimed
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 EP disclosed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 WO disclosed