SCHEMBL7834713

SCHEMBL7834713

CC(C)c1cccc(C(C)C)c1OCc1nc2cc(-n3ccnc3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
CYP19A1 P11511 2/20 0.40
CBFB Q13951 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
F9 P00740 1/20 0.39
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
NPC1 O15118 3/20 0.36
TP53 P04637 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 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
Hydrochloric Acid SCHEMBL8153938 0.99 ALOX15 (0.43) ALOX15TSHRCYP11B1CYP11B2CYP19A1
SCHEMBL7834717 0.92 CBFB (0.49) ALOX15TSHRCYP11B1CYP11B2CYP19A1
Hydrochloric Acid SCHEMBL8153944 0.91 CBFB (0.48) ALOX15TSHRCYP11B1CYP11B2CYP19A1
SCHEMBL7832653 0.87 F9 (0.44) CYP11B1CYP11B2CYP19A1CBFBNCOA3
SCHEMBL7832658 0.86 NPC1 (0.40) CYP11B1CYP11B2CYP19A1CBFBNCOA3
Hydrochloric Acid SCHEMBL8155873 0.86 F9 (0.44) CYP11B1CYP11B2CYP19A1CBFBNCOA3
SCHEMBL7830706 0.85 NPC1 (0.46) TSHRCYP11B1CYP11B2CYP19A1CBFB
SCHEMBL7834174 0.85 F9 (0.44) CYP11B1CYP11B2CYP19A1CBFBNCOA3
SCHEMBL7833040 0.85 CBFB (0.42) CYP11B1CYP11B2CYP19A1CBFBNCOA3
Hydrochloric Acid SCHEMBL7821793 0.84 NPC1 (0.46) TSHRCYP11B1CYP11B2CYP19A1CBFB

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