SCHEMBL7834248

SCHEMBL7834248

O=S(=O)(O)Cc1nc2cc(-n3ccnc3)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.46
IDO1 P14902 1/20 0.45
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CBFB Q13951 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ENPP2 Q13822 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
IDH1 O75874 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
PGR P06401 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL7834250 0.90 CBFB (0.52) F9IDO1CYP19A1CYP11B1CYP11B2
SCHEMBL7821635 0.85 POLB (0.46) F9IDO1CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8155236 0.84 F9 (0.46) F9CYP19A1CYP11B1CYP11B2CBFB
SCHEMBL7835277 0.82 F9 (0.41) F9CYP19A1CYP11B1CYP11B2CBFB
SCHEMBL7834503 0.79 CYP19A1 (0.43) F9CYP19A1CYP11B1CYP11B2CBFB
SCHEMBL7407358 0.79 CBFB (0.50) F9CYP19A1CYP11B1CYP11B2CBFB
SCHEMBL7833055 0.79 F9 (0.42) F9IDO1CYP19A1CYP11B1CYP11B2
SCHEMBL7834258 0.78 SMN1; SMN2 (0.50) F9CYP19A1CYP11B1CYP11B2CBFB
SCHEMBL4071088 0.78 HSD17B10 (0.56) F9CYP11B1CYP11B2FGFR1PDE4A
SCHEMBL7833040 0.78 CBFB (0.42) F9IDO1CYP19A1CYP11B1CYP11B2

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