SCHEMBL6774751

SCHEMBL6774751

CCOCc1nc2c(N)ncc(C)c2n1CCCCNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.43
TLR8 Q9NR97 7/20 0.36
GAA P10253 1/20 0.36
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
NUDT1 P36639 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 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
SCHEMBL6778433 0.92 TLR7 (0.47) TLR7TLR8NUDT1MAPK1SMN1; SMN2
SCHEMBL6775204 0.92 ALDH1A1 (0.45) TLR7SMN1; SMN2ALDH1A1PKM
SCHEMBL6783864 0.91 TLR7 (0.45) TLR7TLR8GAANUDT1MAPK1
SCHEMBL6783227 0.90 TLR7 (0.39) TLR7TLR8GAANUDT1SMN1; SMN2
SCHEMBL6784437 0.90 TLR7 (0.41) TLR7TLR8GAAALDH1A1
SCHEMBL6779031 0.88 TLR7 (0.42) TLR7ALDH1A1
SCHEMBL6285401 0.88 TLR7 (0.52) TLR7TLR8NUDT1
SCHEMBL6778425 0.87 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL6784344 0.86 TLR7 (0.40) TLR7TLR8PIK3CAPIK3CGSMN1; SMN2
SCHEMBL6774225 0.84 KMT2A (0.40) TLR7TLR8GAANUDT1ALDH1A1

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