SCHEMBL7830440

SCHEMBL7830440

COc1cc(OC)c(OCc2nc3ccc(-n4ccnc4)cc3[nH]2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
CBFB Q13951 1/20 0.47
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
BRS3 P32247 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.40
CYP19A1 P11511 3/20 0.39
F9 P00740 2/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL7830427 0.92 CYP11B1 (0.47) CYP11B1CYP11B2CBFBMAOAMAOB
SCHEMBL7832544 0.92 CBFB (0.47) CYP11B1CYP11B2CBFBMAOAMAOB
Hydrochloric Acid SCHEMBL8158760 0.91 CBFB (0.46) CYP11B1CYP11B2CBFBMAOAMAOB
SCHEMBL7830709 0.91 CBFB (0.50) CYP11B1CYP11B2CBFBMAOAMAOB
Hydrochloric Acid SCHEMBL7821802 0.90 CBFB (0.49) CYP11B1CYP11B2CBFBMAOAMAOB
SCHEMBL7831108 0.88 SMN1; SMN2 (0.55) CYP11B1CYP11B2CBFBMAOAMAOB
Hydrochloric Acid SCHEMBL8142735 0.87 SMN1; SMN2 (0.54) CYP11B1CYP11B2CBFBMAOAMAOB
SCHEMBL7833677 0.85 CBFB (0.47) CYP11B1CYP11B2CBFBMAOAMAOB
SCHEMBL7837226 0.85 CBFB (0.46) CYP11B1CYP11B2CBFBMAOAMAOB
SCHEMBL7832662 0.84 CBFB (0.49) CYP11B1CYP11B2CBFBMAOAMAOB

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