SCHEMBL7833057

SCHEMBL7833057

CN(Cc1nc2ccc(-n3ccnc3)cc2[nH]1)c1c(O)cccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.48
FGFR1 P11362 2/20 0.45
FLT1 P17948 1/20 0.45
F9 P00740 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.41
MAOA P21397 5/20 0.40
MAOB P27338 5/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP19A1 P11511 2/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
ENPP2 Q13822 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
IDO1 P14902 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL7833055 0.92 F9 (0.42) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7832841 0.92 MAOA (0.44) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7822325 0.86 MAOA (0.48) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7832812 0.84 CBFB (0.48) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7833754 0.84 CBFB (0.54) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7832837 0.84 MAOA (0.42) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7830533 0.82 MAOA (0.45) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7832665 0.80 CBFB (0.49) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7833044 0.80 CBFB (0.52) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7833722 0.80 CBFB (0.49) CBFBFGFR1FLT1F9NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894795-B1 Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-06-06 EP disclosed