SCHEMBL6280722

SCHEMBL6280722

CCC(C)c1nc2ccccc2c2c1ncn2CCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.50
POLB P06746 2/20 0.50
PDE4D Q08499 2/20 0.50
LMNA P02545 1/20 0.50
HRH2 P25021 1/20 0.50
ADRA1D P25100 1/20 0.50
HTR2A P28223 1/20 0.50
ADORA2A P29274 1/20 0.50
ADRA1A P35348 1/20 0.50
NUDT1 P36639 1/20 0.50
HTR2B P41595 1/20 0.50
KCNH2 Q12809 1/20 0.50
TLR8 Q9NR97 4/20 0.40
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PIM1 P11309 2/20 0.36
PIM3 Q86V86 2/20 0.36
MAPT P10636 2/20 0.35
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34

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
SCHEMBL5668890 0.86 TLR7 (0.46) TLR7POLBPDE4DLMNAHRH2
SCHEMBL6053075 0.85 TLR7 (0.44) TLR7POLBPDE4DLMNAHRH2
SCHEMBL4148512 0.83 LMNA (0.43) TLR7POLBPDE4DLMNAHRH2
SCHEMBL5669098 0.80 TLR7 (0.44) TLR7POLBPDE4DLMNAHRH2
SCHEMBL8128122 0.79 TLR7 (0.64) TLR7POLBPDE4DLMNAHRH2
SCHEMBL8126603 0.78 TLR7 (0.47) TLR7POLBPDE4DLMNAHRH2
SCHEMBL6053164 0.77 TLR7 (0.46) TLR7POLBPDE4DLMNAHRH2
SCHEMBL483690 0.77 TLR7 (0.50) TLR7POLBPDE4DLMNAHRH2
SCHEMBL5669048 0.76 TLR7 (0.49) TLR7POLBPDE4DLMNAHRH2
SCHEMBL6053092 0.76 TLR7 (0.44) TLR7POLBPDE4DLMNAHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003064-A2 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-13 WO disclosed