SCHEMBL7832655

SCHEMBL7832655

Cc1cccc(C)c1OCc1nc2ccc(-n3ccnc3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.52
FGFR1 P11362 2/20 0.46
FLT1 P17948 1/20 0.46
F9 P00740 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP19A1 P11511 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39

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
Hydrochloric Acid SCHEMBL8155878 0.99 CBFB (0.51) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7833677 0.92 CBFB (0.47) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7836840 0.92 CBFB (0.49) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7832653 0.92 F9 (0.44) CBFBFGFR1FLT1F9NCOA3
Hydrochloric Acid SCHEMBL8155873 0.91 F9 (0.44) CBFBFGFR1FLT1F9NCOA3
Hydrochloric Acid SCHEMBL8142676 0.91 CBFB (0.48) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7830709 0.88 CBFB (0.50) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7833044 0.87 CBFB (0.52) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7834178 0.87 CBFB (0.52) CBFBFGFR1FLT1F9NCOA3
SCHEMBL7834717 0.87 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 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