SCHEMBL27708391

SCHEMBL27708391

CC(C)CCn1cnc2c(N)nc3ccccc3c21.N[SH](=O)=O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 16/20 0.69
▸ LMNA P02545 1/20 0.69
▸ POLB P06746 1/20 0.69
▸ HRH2 P25021 1/20 0.69
▸ ADRA1D P25100 1/20 0.69
▸ HTR2A P28223 1/20 0.69
▸ ADORA2A P29274 1/20 0.69
▸ ADRA1A P35348 1/20 0.69
▸ NUDT1 P36639 1/20 0.69
▸ HTR2B P41595 1/20 0.69
▸ PDE4D Q08499 1/20 0.69
▸ KCNH2 Q12809 1/20 0.69
▸ TLR8 Q9NR97 5/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
Imiquimod SCHEMBL570774 0.82 TLR7 (1.00) TLR7LMNAPOLBHRH2ADRA1D
Imiquimod SCHEMBL29357252 0.82 TLR7 (1.00) TLR7LMNAPOLBHRH2ADRA1D
Imiquimod SCHEMBL26136 0.82 TLR7 (1.00) TLR7LMNAPOLBHRH2ADRA1D
Imiquimod SCHEMBL1301796 0.81 TLR7 (0.97) TLR7LMNAPOLBHRH2ADRA1D
Imiquimod SCHEMBL17962753 0.81 TLR7 (0.97) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL13248614 0.80 TLR7 (0.70) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL27688679 0.80 LMNA (0.42) TLR7LMNAPOLBHRH2ADRA1D
Imiquimod SCHEMBL5262205 0.79 TLR7 (0.88) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3869660 0.79 TLR7 (0.67) TLR7LMNAPOLBHRH2ADRA1D
Imiquimod SCHEMBL29029396 0.79 TLR7 (0.93) TLR7LMNAPOLBHRH2ADRA1D

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
CN-101014596-A Imidazoquinolinylsulfonamides, imidazopyridinylsulfonamides, and imidazo-1, 5-naphthyridinylsulfonamides 3M INNOVATIVE PROPERTIES CO (US) 2007-08-08 — — CN disclosed
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