SCHEMBL7834174

SCHEMBL7834174

Clc1cccc(Cl)c1OCc1nc2cc(-n3ccnc3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.44
IDO1 P14902 1/20 0.42
CBFB Q13951 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
CYP19A1 P11511 1/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
IDH1 O75874 1/20 0.38
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
NOTUM Q6P988 1/20 0.37
MAOA P21397 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
Hydrochloric Acid SCHEMBL8157010 0.99 F9 (0.44) F9IDO1CBFBNCOA3CYP11B1
SCHEMBL7834178 0.92 CBFB (0.52) F9IDO1CBFBNCOA3CYP11B1
Hydrochloric Acid SCHEMBL8157014 0.91 CBFB (0.51) F9IDO1CBFBNCOA3CYP11B1
SCHEMBL7833040 0.87 CBFB (0.42) F9IDO1CBFBNCOA3CYP11B1
SCHEMBL7832653 0.87 F9 (0.44) F9CBFBNCOA3CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8155873 0.86 F9 (0.44) F9CBFBNCOA3CYP11B1CYP11B2
SCHEMBL7830706 0.85 NPC1 (0.46) F9CBFBNCOA3CYP11B1CYP11B2
SCHEMBL7834713 0.85 ALOX15 (0.44) F9IDO1CBFBNCOA3CYP11B1
SCHEMBL7832658 0.85 NPC1 (0.40) F9CBFBNCOA3CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7821793 0.85 NPC1 (0.46) F9CBFBNCOA3CYP11B1CYP11B2

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