SCHEMBL7101420

SCHEMBL7101420

O=C(O)Nc1nc2cc(Sc3ccc(NC(=O)Nc4cc([N+](=O)[O-])ccc4F)cc3)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
MAPT P10636 5/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 3/20 0.53
KDR P35968 6/20 0.52
TEK Q02763 6/20 0.52
MMP1 P03956 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
IGF1R P08069 1/20 0.41
APEX1 P27695 1/20 0.40
NPC1 O15118 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
SCHEMBL7101422 1.00 MEN1 (0.54) MEN1KMT2AMAPTLMNAHTT
SCHEMBL5345721 0.91 TEK (0.64) MEN1KMT2AMAPTLMNAHTT
SCHEMBL7011747 0.90 MAPT (0.51) MEN1KMT2AMAPTLMNAHTT
SCHEMBL7011752 0.90 MAPT (0.51) MEN1KMT2AMAPTLMNAHTT
SCHEMBL7101462 0.86 KDR (0.56) MEN1KMT2AMAPTLMNAHTT
SCHEMBL7101458 0.86 KDR (0.56) MEN1KMT2AMAPTLMNAHTT
SCHEMBL14375462 0.84 TEK (0.74) MEN1KMT2AMAPTLMNAHTT
SCHEMBL5341763 0.83 TEK (0.53) MEN1KMT2AMAPTLMNAKDR
SCHEMBL7102856 0.78 MEN1 (0.47) MEN1KMT2ALMNAKDRTEK
SCHEMBL5346740 0.78 TEK (0.68) MEN1KMT2AMAPTHTTKDR

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