SCHEMBL3858505

SCHEMBL3858505

Nc1nc2ccccc2c2c1ncn2CCCCCCCCS(N)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
HRH2 P25021 1/20 0.56
ADRA1D P25100 1/20 0.56
HTR2A P28223 1/20 0.56
ADORA2A P29274 1/20 0.56
ADRA1A P35348 1/20 0.56
NUDT1 P36639 1/20 0.56
HTR2B P41595 1/20 0.56
PDE4D Q08499 1/20 0.56
KCNH2 Q12809 1/20 0.56
TLR8 Q9NR97 5/20 0.43

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
SCHEMBL4314980 0.95 TLR7 (0.58) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5358343 0.91 TLR7 (0.59) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5370008 0.90 TLR7 (0.60) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5355224 0.89 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL4204295 0.88 TLR7 (0.55) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3868909 0.84 TLR7 (0.62) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8136496 0.84 TLR7 (0.62) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8136290 0.84 TLR7 (0.62) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3177482 0.83 TLR7 (0.64) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL15924735 0.83 TLR7 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642580-B1 Sulfonamide substituted imidazoquinolines COLEY PHARM GROUP INC (US) 2009-08-19 EP claimed
US-6331539-B1 INDUCE BIOSYNTHESIS OF INTERFERON ALPHA IN ANIMALS 3M INNOVATIVE PROPERTIES COMPANY 2001-12-18 US claimed