SCHEMBL6783284

SCHEMBL6783284

CCOCc1nc2c(N)ncc(C)c2n1CCCCNS(=O)(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.40
TLR8 Q9NR97 8/20 0.38
CCR1 P32246 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
NUDT1 P36639 1/20 0.37
ALPL P05186 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
HTR7 P34969 1/20 0.34

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
SCHEMBL6778051 0.86 TLR7 (0.46) TLR7TLR8NUDT1HTR7
SCHEMBL6778433 0.85 TLR7 (0.47) TLR7TLR8NUDT1HTR7
SCHEMBL6778097 0.84 TLR7 (0.38) TLR7TLR8
SCHEMBL6783227 0.83 TLR7 (0.39) TLR7TLR8NUDT1HTR7
SCHEMBL6783864 0.82 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL6778425 0.82 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL6779031 0.81 TLR7 (0.42) TLR7HTR7
SCHEMBL6285401 0.81 TLR7 (0.52) TLR7TLR8NUDT1
SCHEMBL6774751 0.81 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL6784344 0.81 TLR7 (0.40) TLR7TLR8HTR7

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