SCHEMBL7833055

SCHEMBL7833055

CN(Cc1nc2cc(-n3ccnc3)ccc2[nH]1)c1c(O)cccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.42
CBFB Q13951 1/20 0.39
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CYP19A1 P11511 2/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
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
PARP1 P09874 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35

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
SCHEMBL7833057 0.92 CBFB (0.48) F9CBFBCYP11B1CYP11B2CYP19A1
SCHEMBL7832837 0.92 MAOA (0.42) F9CBFBCYP11B1CYP11B2CYP19A1
SCHEMBL7822322 0.86 MAOA (0.45) F9CBFBCYP11B1CYP11B2CYP19A1
SCHEMBL7832807 0.84 CBFB (0.39) F9CBFBCYP11B1CYP11B2CYP19A1
SCHEMBL7833749 0.84 MEN1 (0.46) F9CBFBCYP11B1CYP11B2CYP19A1
SCHEMBL7832841 0.84 MAOA (0.44) F9CBFBCYP11B1CYP11B2CYP19A1
SCHEMBL7830531 0.82 MAOA (0.43) F9CBFBCYP11B1CYP11B2CYP19A1
SCHEMBL7832659 0.80 F9 (0.42) F9CBFBCYP11B1CYP11B2CYP19A1
SCHEMBL7833040 0.80 CBFB (0.42) F9CBFBCYP11B1CYP11B2CYP19A1
SCHEMBL7833717 0.80 F9 (0.41) F9CBFBCYP11B1CYP11B2CYP19A1

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