SCHEMBL7832812

SCHEMBL7832812

CCOc1cccc(OCC)c1N(C)Cc1nc2ccc(-n3ccnc3)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.48
FGFR1 P11362 2/20 0.43
FLT1 P17948 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.41
MAOB P27338 6/20 0.40
MAOA P21397 5/20 0.40
F9 P00740 1/20 0.38
DRD4 P21917 1/20 0.37
CYP1A2 P05177 4/20 0.36
CYP2D6 P10635 4/20 0.36
CYP2C9 P11712 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP3A4 P08684 3/20 0.36
IGF1R P08069 1/20 0.36
FGFR2 P21802 1/20 0.35
FGFR3 P22607 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
SCHEMBL7832807 0.92 CBFB (0.39) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7822325 0.90 MAOA (0.48) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7830533 0.85 MAOA (0.45) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7832662 0.84 CBFB (0.49) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7832841 0.84 MAOA (0.44) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7833057 0.84 CBFB (0.48) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7831676 0.83 CBFB (0.48) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7833478 0.83 CBFB (0.48) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7822322 0.82 MAOA (0.45) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7833754 0.81 CBFB (0.54) CBFBFGFR1FLT1NCOA3MAOB

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 3 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
US-6040327-A INHIBITORS OF INTERLEUKINS; TREATING RHEUMATOID ARTHRITIS OR ARTHROSIS ADIR ET COMPAGNIE (FR) 2000-03-21 US 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