SCHEMBL13613826

SCHEMBL13613826

CCC(COCCC1CCN(C(=S)NC(=O)c2ccco2)CC1)n1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
KMT2A Q03164 3/20 0.38
HIF1A Q16665 1/20 0.38
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
HRH2 P25021 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
ADORA2A P29274 1/20 0.34
ADRA1A P35348 1/20 0.34
NUDT1 P36639 1/20 0.34
HTR2B P41595 1/20 0.34
PDE4D Q08499 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL14533341 0.88 TLR7 (0.34) LMNATLR7POLBHRH2ADRA1D
SCHEMBL13613827 0.85 KMT2A (0.38) KMT2ALMNATLR7MAPTPOLB
SCHEMBL13613810 0.82 TLR7 (0.39) KMT2ALMNATLR7POLBHRH2
SCHEMBL13613812 0.82 FAAH (0.42) ALDH1A1KMT2ALMNATLR7MAPT
SCHEMBL13613813 0.82 TLR7 (0.38) LMNATLR7POLBHRH2ADRA1D
SCHEMBL4338051 0.81 TLR7 (0.40) LMNATLR7POLBHRH2ADRA1D
SCHEMBL13613811 0.80 TLR7 (0.39) KMT2AL3MBTL1LMNATLR7POLB
SCHEMBL13613815 0.80 LCK (0.36) ALDH1A1LMNATLR7MAPTPOLB
SCHEMBL13613819 0.79 EPHX2 (0.41) KCNH2
SCHEMBL13613823 0.78 LMNA (0.41) LMNATLR7POLBHRH2ADRA1D

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
US-7612083-B2 Urea substituted imidazoquinoline ethers COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-11-03 US disclosed
US-7612083-B2 Urea substituted imidazoquinoline ethers COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-11-03 US disclosed
US-7214675-B2 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-08 US disclosed