SCHEMBL7833722

SCHEMBL7833722

Oc1cccc(O)c1SCc1nc2ccc(-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
NCOA3 Q9Y6Q9 1/20 0.42
F9 P00740 1/20 0.41
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
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
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 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
SCHEMBL7833717 0.92 F9 (0.41) CBFBFGFR1FLT1NCOA3F9
SCHEMBL7836269 0.91 MAOA (0.44) CBFBFGFR1FLT1NCOA3F9
SCHEMBL7833198 0.87 CBFB (0.49) CBFBFGFR1FLT1NCOA3F9
Hydrochloric Acid SCHEMBL7830602 0.86 CBFB (0.48) CBFBFGFR1FLT1NCOA3F9
SCHEMBL7840889 0.85 MAOA (0.48) CBFBFGFR1FLT1NCOA3F9
SCHEMBL7832392 0.84 CBFB (0.47) CBFBFGFR1FLT1NCOA3F9
SCHEMBL7821991 0.84 NPC1 (0.55) CBFBFGFR1FLT1NCOA3F9
SCHEMBL7833478 0.83 CBFB (0.48) CBFBFGFR1FLT1NCOA3F9
Hydrochloric Acid SCHEMBL8155594 0.83 NPC1 (0.54) CBFBFGFR1FLT1NCOA3F9
SCHEMBL7836267 0.83 MAOA (0.42) CBFBNCOA3F9CYP19A1CYP11B1

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