SCHEMBL7833717

SCHEMBL7833717

Oc1cccc(O)c1SCc1nc2cc(-n3ccnc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.41
CBFB Q13951 1/20 0.40
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
NCOA3 Q9Y6Q9 1/20 0.39
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
ENPP2 Q13822 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
IDO1 P14902 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 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
SCHEMBL7833722 0.92 CBFB (0.49) F9CBFBCYP19A1CYP11B1CYP11B2
SCHEMBL7836267 0.91 MAOA (0.42) F9CBFBCYP19A1CYP11B1CYP11B2
SCHEMBL7833192 0.87 F9 (0.44) F9CBFBCYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7830596 0.86 F9 (0.44) F9CBFBCYP19A1CYP11B1CYP11B2
SCHEMBL7840878 0.85 MAOA (0.45) F9CBFBCYP19A1CYP11B1CYP11B2
SCHEMBL7832389 0.84 ENPP2 (0.47) F9CBFBCYP19A1CYP11B1CYP11B2
SCHEMBL7821986 0.84 NPC1 (0.55) F9CBFBCYP19A1CYP11B1CYP11B2
SCHEMBL7833472 0.83 CBFB (0.39) F9CBFBCYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8155587 0.83 NPC1 (0.54) F9CBFBCYP19A1CYP11B1CYP11B2
SCHEMBL7836269 0.83 MAOA (0.44) F9CBFBCYP19A1CYP11B1CYP11B2

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