SCHEMBL7833478

SCHEMBL7833478

CCOc1cccc(OCC)c1SCc1nc2ccc(-n3ccnc3)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

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 4/20 0.40
MAOA P21397 3/20 0.40
F9 P00740 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2B6 P20813 1/20 0.38
PTGS2 P35354 1/20 0.37
CYP19A1 P11511 2/20 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
SCHEMBL7833472 0.92 CBFB (0.39) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7840889 0.90 MAOA (0.48) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7833198 0.85 CBFB (0.49) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7821975 0.85 MAOA (0.45) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7832662 0.84 CBFB (0.49) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7836269 0.84 MAOA (0.44) CBFBFGFR1FLT1NCOA3MAOB
Hydrochloric Acid SCHEMBL7830602 0.84 CBFB (0.48) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7833722 0.83 CBFB (0.49) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7831676 0.83 CBFB (0.48) CBFBFGFR1FLT1NCOA3MAOB
SCHEMBL7832812 0.83 CBFB (0.48) 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 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