SCHEMBL5748534

SCHEMBL5748534

Nc1nc2ccccc2c2c1ncn2CCCCCC(=O)NCc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.45
TLR8 Q9NR97 11/20 0.45
BACE1 P56817 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HRH2 P25021 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
ADORA2A P29274 1/20 0.39
ADRA1A P35348 1/20 0.39
NUDT1 P36639 1/20 0.39
HTR2B P41595 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 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
SCHEMBL5749723 0.91 TLR7 (0.45) TLR7TLR8LMNAPOLBHRH2
SCHEMBL5750269 0.86 TLR7 (0.43) TLR7TLR8ALDH1A1LMNAPOLB
SCHEMBL5749137 0.84 TLR7 (0.49) TLR7TLR8LMNAPOLBHRH2
SCHEMBL5749982 0.84 TLR7 (0.51) TLR7TLR8BACE1LMNAPOLB
SCHEMBL5746792 0.83 TLR7 (0.51) TLR7TLR8ALDH1A1LMNAPOLB
SCHEMBL5748536 0.82 TLR7 (0.42) TLR7NPC1RAB9AALDH1A1F2
SCHEMBL5747394 0.82 TLR7 (0.56) TLR7TLR8ALDH1A1LMNAPOLB
SCHEMBL5749071 0.81 TLR7 (0.48) TLR7TLR8LMNAPOLBHRH2
SCHEMBL5749508 0.81 TLR7 (0.49) TLR7TLR8ALDH1A1LMNAPOLB
SCHEMBL5747317 0.80 TLR7 (0.47) TLR7TLR8ALDH1A1LMNAPOLB

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-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 EP claimed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 EP claimed
US-6451810-B1 AID IN CYTOKINE BIOSYNTHESIS 3M INNOVATIVE PROPERTIES COMPANY 2002-09-17 US claimed