SCHEMBL4740565

SCHEMBL4740565

CN1C(=O)C(c2ccc(F)c(Br)c2)(c2ccc3c(c2)CCO3)NC1=S

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.36
CTSD P07339 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
CNR1 P21554 5/20 0.36
ABCC9 O60706 7/20 0.35
ABCC8 Q09428 7/20 0.35
KCNJ11 Q14654 7/20 0.35
KCNJ8 Q15842 7/20 0.35
CSNK2A2 P19784 1/20 0.35
CLK1 P49759 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
ERN1 O75460 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL4740558 0.95 CNR1 (0.35) BACE1CTSDBACE2CNR1ABCC9
SCHEMBL4738375 0.86 CNR1 (0.34) CNR1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4738661 0.85 PKM (0.38) BACE1CNR1
SCHEMBL4511507 0.85 BACE1 (0.42) BACE1CTSDBACE2CNR1CSNK2A2
SCHEMBL4520613 0.84 BACE1 (0.43) BACE1CTSDBACE2CNR1CSNK2A2
SCHEMBL4734518 0.83 CNR1 (0.35) BACE1CTSDCNR1ABCC9ABCC8
SCHEMBL4786160 0.81 CNR1 (0.38) BACE1CNR1ABCC9ABCC8KCNJ11
SCHEMBL4785590 0.81 CNR1 (0.38) BACE1CNR1
SCHEMBL4517752 0.80 CNR1 (0.38) BACE1CTSDBACE2CNR1CLK1
SCHEMBL4732724 0.80 CNR1 (0.47) CNR1ABCC9ABCC8KCNJ11KCNJ8

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