SCHEMBL6778097

SCHEMBL6778097

CCOCc1nc2c(N)ncc(C)c2n1CCCCNS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.38
TLR8 Q9NR97 9/20 0.36
KCNH2 Q12809 1/20 0.35
KAT6A Q92794 1/20 0.34
PIK3CA P42336 3/20 0.34
LMNA P02545 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
NR3C2 P08235 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
SCHEMBL4790600 0.88 TLR8 (0.37) TLR7TLR8
SCHEMBL6784344 0.87 TLR7 (0.40) TLR7TLR8KCNH2PIK3CA
SCHEMBL4793247 0.87 TLR8 (0.37) TLR7TLR8
SCHEMBL4791859 0.87 TLR8 (0.38) TLR7TLR8
SCHEMBL6774337 0.85 TLR8 (0.39) TLR7TLR8PIK3CALMNA
SCHEMBL6778344 0.84 TLR7 (0.36) TLR7TLR8KCNH2KAT6APIK3CA
SCHEMBL6783284 0.84 TLR7 (0.40) TLR7TLR8
SCHEMBL6778425 0.84 TLR7 (0.43) TLR7TLR8
SCHEMBL6778433 0.83 TLR7 (0.47) TLR7TLR8LMNA
SCHEMBL6778051 0.83 TLR7 (0.46) TLR7TLR8

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