SCHEMBL7101458

SCHEMBL7101458

O=C(O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cc([N+](=O)[O-])ccc4F)cc3)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.56
TEK Q02763 13/20 0.56
MEN1 O00255 3/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.53
RAF1 P04049 2/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MYOC Q99972 1/20 0.47

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
SCHEMBL7101462 1.00 KDR (0.56) KDRTEKMEN1MAPTKMT2A
SCHEMBL5346740 0.92 TEK (0.68) KDRTEKMEN1MAPTKMT2A
SCHEMBL7103564 0.90 MAPT (0.51) KDRTEKMEN1MAPTKMT2A
SCHEMBL7103567 0.90 MAPT (0.51) KDRTEKMEN1MAPTKMT2A
SCHEMBL7097972 0.87 KDR (0.71) KDRTEKRAF1
SCHEMBL7017823 0.87 KDR (0.62) KDRTEKMAPTRAF1NPC1
SCHEMBL7101422 0.86 MEN1 (0.54) KDRTEKMEN1MAPTKMT2A
SCHEMBL7101420 0.86 MEN1 (0.54) KDRTEKMEN1MAPTKMT2A
SCHEMBL7012448 0.84 TEK (0.74) KDRTEKRAF1
SCHEMBL5347951 0.84 KDR (0.57) KDRTEKMEN1MAPTKMT2A

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