SCHEMBL6780401

SCHEMBL6780401

CCCCS(=O)(=O)NCCCCn1c(COCC)nc2c(N)nc(C)cc21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.38
TLR8 Q9NR97 7/20 0.33
NUDT1 P36639 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL6774083 0.92 TLR7 (0.40) TLR7TLR8NUDT1ADORA2AADORA2B
SCHEMBL6285069 0.89 TLR7 (0.48) TLR7TLR8NUDT1ADORA2AADORA2B
SCHEMBL6774273 0.87 TLR7 (0.38) TLR7TLR8NUDT1ADORA2AADORA2B
SCHEMBL6779139 0.86 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL6773388 0.84 TLR7 (0.37) TLR7TLR8
SCHEMBL6784556 0.84 TLR7 (0.40) TLR7TLR8
SCHEMBL6780506 0.82 ALDH1A1 (0.46) TLR7
SCHEMBL6779205 0.82 TLR7 (0.43) TLR7TLR8
SCHEMBL6096076 0.82 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL6780360 0.82 ALDH1A1 (0.39) TLR7

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