SCHEMBL7832665

SCHEMBL7832665

Oc1cccc(O)c1NCc1nc2ccc(-n3ccnc3)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.49
FGFR1 P11362 2/20 0.46
FLT1 P17948 1/20 0.46
F9 P00740 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
IDH1 O75874 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ENPP2 Q13822 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
IDO1 P14902 2/20 0.37
KLK1 P06870 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
SCHEMBL7832659 0.92 F9 (0.42) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7830649 0.91 MAOA (0.44) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7834220 0.85 MAOA (0.48) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7822772 0.84 CBFB (0.55) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7831676 0.83 CBFB (0.48) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7830643 0.83 MAOA (0.42) CBFBF9CYP19A1CYP11B1CYP11B2
SCHEMBL7833722 0.81 CBFB (0.49) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7833044 0.81 CBFB (0.52) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7833057 0.80 CBFB (0.48) CBFBFGFR1FLT1F9NCOA3
Hydrochloric Acid SCHEMBL8155241 0.78 CBFB (0.55) 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 2 patents. 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
EP-0894795-A1 Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-02-03 EP disclosed