SCHEMBL6780460

SCHEMBL6780460

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.44
TLR8 Q9NR97 8/20 0.43
NUDT1 P36639 1/20 0.40
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35

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 0.95 TLR7 (0.47) TLR7TLR8NUDT1LMNAMAPK1
SCHEMBL6776957 0.91 TLR7 (0.42) TLR7TLR8NUDT1MAPK1SMN1; SMN2
SCHEMBL6775218 0.89 POLB (0.42) TLR7TLR8LMNASMN1; SMN2ALDH1A1
SCHEMBL6774343 0.89 ALDH1A1 (0.44) TLR7TLR8LMNASMN1; SMN2ALDH1A1
SCHEMBL6778238 0.87 TLR7 (0.44) TLR7TLR8NUDT1MAPK1SMN1; SMN2
SCHEMBL6779472 0.87 HTR7 (0.40) TLR7TLR8NUDT1MAPK1SMN1; SMN2
SCHEMBL6774423 0.86 TLR7 (0.41) TLR7HDAC1HDAC2LMNAMAPK1
SCHEMBL6783864 0.85 TLR7 (0.45) TLR7TLR8NUDT1HDAC1HDAC2
SCHEMBL6783636 0.85 TLR7 (0.39) TLR7TLR8NUDT1SMN1; SMN2ALDH1A1
SCHEMBL6777836 0.84 TLR7 (0.43) TLR7TLR8NUDT1LMNAALDH1A1

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