SCHEMBL7833040

SCHEMBL7833040

Oc1cccc(O)c1OCc1nc2cc(-n3ccnc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
F9 P00740 1/20 0.41
ENPP2 Q13822 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
CYP19A1 P11511 1/20 0.40
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL7833044 0.92 CBFB (0.52) CBFBNCOA3F9ENPP2MKNK1
SCHEMBL7837220 0.91 NPC1 (0.43) CBFBNCOA3F9ENPP2MKNK1
SCHEMBL7834174 0.87 F9 (0.44) CBFBNCOA3F9CYP11B1CYP11B2
SCHEMBL7832653 0.87 F9 (0.44) CBFBNCOA3F9CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8155873 0.86 F9 (0.44) CBFBNCOA3F9CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8157010 0.86 F9 (0.44) CBFBNCOA3F9CYP11B1CYP11B2
SCHEMBL7830706 0.85 NPC1 (0.46) CBFBNCOA3F9CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7821793 0.85 NPC1 (0.46) CBFBNCOA3F9CYP11B1CYP11B2
SCHEMBL7832658 0.85 NPC1 (0.40) CBFBNCOA3F9CYP11B1CYP11B2
SCHEMBL7834713 0.85 ALOX15 (0.44) CBFBNCOA3F9CYP11B1CYP11B2

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