SCHEMBL5504922

SCHEMBL5504922

CC(=O)OCc1nc2c(CC3CCOCC3)nc3cc(Br)ccc3c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
SLC2A1 P11166 1/20 0.33
SLC2A2 P11168 1/20 0.33
SLC2A3 P11169 1/20 0.33
PARP14 Q460N5 6/20 0.32
PIM1 P11309 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL5507582 0.83 PTGES (0.32) CNR1CNR2PARP14PIM1CSNK2A2
SCHEMBL4766269 0.83 PARP14 (0.33) SLC2A1SLC2A2SLC2A3PARP14PIM1
SCHEMBL4724437 0.79 TLR7 (0.34) SLC2A1SLC2A2SLC2A3PARP14PIM1
SCHEMBL4764975 0.79 PTGES (0.33) CNR1CNR2SLC2A1SLC2A2SLC2A3
SCHEMBL4767581 0.75 SLC2A1 (0.35) SLC2A1SLC2A2SLC2A3PARP14PIM1
SCHEMBL4767545 0.73 PARP14 (0.35) PARP14
SCHEMBL4724105 0.72 TLR7 (0.44) PARP14
SCHEMBL5271211 0.69 IDO1 (0.37) PARP14
SCHEMBL4766121 0.68 KMT2A (0.42) PARP14
SCHEMBL5504931 0.67 PARP14 (0.32) PARP14

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
EP-1851218-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS 3M Innovative Properties Company (US) 2007-11-07 EP disclosed
EP-1850849-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON Coley Pharmaceutical Group, Inc. (US) 2007-11-07 EP disclosed
WO-2006091567-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed
WO-2006091647-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed