SCHEMBL6776957

SCHEMBL6776957

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.42
TLR8 Q9NR97 9/20 0.39
GAA P10253 1/20 0.37
NUDT1 P36639 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MBTD1 Q05BQ5 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 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
SCHEMBL6783392 0.92 TLR7 (0.47) TLR7TLR8GAANUDT1MAPK1
SCHEMBL6774343 0.91 ALDH1A1 (0.44) TLR7TLR8SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6780460 0.91 TLR7 (0.44) TLR7TLR8GAANUDT1MAPK1
SCHEMBL6779472 0.90 HTR7 (0.40) TLR7TLR8GAANUDT1MAPK1
SCHEMBL6778238 0.90 TLR7 (0.44) TLR7TLR8GAANUDT1MAPK1
SCHEMBL6775218 0.88 POLB (0.42) TLR7TLR8GAASMN1; SMN2ALDH1A1
SCHEMBL6285260 0.87 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL6777551 0.86 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6783636 0.85 TLR7 (0.39) TLR7TLR8NUDT1SMN1; SMN2ALDH1A1
SCHEMBL6774751 0.84 TLR7 (0.43) TLR7TLR8GAANUDT1MAPK1

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
US-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed