SCHEMBL4784686

SCHEMBL4784686

O=C(C(=O)c1ccc2c(c1)CCCO2)c1ccc(F)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.54
WNT3A P56704 7/20 0.54
MAOB P27338 2/20 0.49
PRKCI P41743 1/20 0.44
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ERN1 O75460 1/20 0.38
PIR O00625 1/20 0.37
HSF1 Q00613 1/20 0.37
PGR P06401 1/20 0.37
GPR183 P32249 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
SCHEMBL4783710 0.92 MAOB (0.51) CTNNB1WNT3AMAOBPRKCICES2
SCHEMBL4518583 0.80 CTNNB1 (0.59) CTNNB1WNT3AMAOBPRKCICLK1
SCHEMBL8192501 0.79 ERN1 (0.47) CTNNB1WNT3AMAOBPRKCICLK1
SCHEMBL11239661 0.79 CTNNB1 (0.63) CTNNB1WNT3APRKCICLK1DYRK1A
SCHEMBL4737812 0.76 PKM (0.43) MAOBCES2CES1MAPTNPC1
SCHEMBL4737265 0.76 CTNNB1 (0.39) CTNNB1WNT3AMAOBPRKCICLK1
SCHEMBL875455 0.75 CTNNB1 (0.67) CTNNB1WNT3APRKCICLK1DYRK1A
SCHEMBL31262479 0.75 CTNNB1 (0.67) CTNNB1WNT3APRKCICLK1DYRK1A
SCHEMBL8319676 0.74 PRKCI (0.63) CTNNB1WNT3APRKCICLK1DYRK1A
SCHEMBL1726294 0.74 CTNNB1 (0.61) CTNNB1WNT3APRKCICLK1DYRK1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008076043-A1 NOVEL 2-AMINO-5,5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008076043-A1 NOVEL 2-AMINO-5,5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed