SCHEMBL5748435

SCHEMBL5748435

COc1cc(CNC(=O)CCCCCn2cnc3c(N)nc4ccccc4c32)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.49
TLR8 Q9NR97 11/20 0.49
POLB P06746 3/20 0.45
LMNA P02545 1/20 0.45
HRH2 P25021 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2A P28223 1/20 0.45
ADORA2A P29274 1/20 0.45
ADRA1A P35348 1/20 0.45
NUDT1 P36639 1/20 0.45
HTR2B P41595 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 1/20 0.45
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
MAPT P10636 1/20 0.42

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
SCHEMBL5750499 0.89 TP53 (0.51) TLR7TLR8POLBTP53TDP1
SCHEMBL5750729 0.89 POLB (0.47) TLR7TLR8POLBLMNAHRH2
SCHEMBL5749516 0.88 TLR7 (0.54) TLR7TLR8POLBLMNAHRH2
SCHEMBL5747394 0.88 TLR7 (0.56) TLR7TLR8POLBLMNAHRH2
SCHEMBL5748173 0.87 ALDH1A1 (0.51) TLR7TLR8POLBLMNATP53
SCHEMBL5749982 0.86 TLR7 (0.51) TLR7TLR8POLBLMNAHRH2
SCHEMBL5749163 0.84 TLR7 (0.53) TLR7TLR8POLBLMNAHRH2
SCHEMBL13937470 0.84 KMT2A (0.48) TLR7POLBLMNAHRH2ADRA1D
SCHEMBL5748394 0.84 TLR7 (0.53) TLR7TLR8POLBLMNAHRH2
SCHEMBL5748639 0.84 TLR7 (0.54) TLR7TLR8POLBLMNAHRH2

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