SCHEMBL7834948

SCHEMBL7834948

COc1cccc(CO)c1OCc1nc2ccc(-n3ccnc3)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.45
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CNR1 P21554 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
F9 P00740 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
SCHEMBL7834944 0.93 MAOA (0.41) CBFBMAOAMAOBFGFR1FLT1
SCHEMBL7834959 0.92 CBFB (0.46) CBFBMAOAMAOBFGFR1FLT1
SCHEMBL7830709 0.92 CBFB (0.50) CBFBMAOAMAOBFGFR1FLT1
Hydrochloric Acid SCHEMBL7821802 0.91 CBFB (0.49) CBFBMAOAMAOBFGFR1FLT1
SCHEMBL7837226 0.89 CBFB (0.46) CBFBMAOAMAOBFGFR1FLT1
SCHEMBL7833677 0.88 CBFB (0.47) CBFBMAOAMAOBFGFR1FLT1
SCHEMBL7834952 0.85 MAOA (0.42) CBFBMAOAMAOBFGFR1FLT1
SCHEMBL7830706 0.84 NPC1 (0.46) CBFBMAOAMAOBNPC1RAB9A
SCHEMBL7830440 0.83 CYP11B1 (0.47) CBFBMAOAMAOBFGFR1FLT1
SCHEMBL7832662 0.83 CBFB (0.49) CBFBMAOAMAOBFGFR1FLT1

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