SCHEMBL6777836

SCHEMBL6777836

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.43
TLR8 Q9NR97 7/20 0.43
NUDT1 P36639 1/20 0.41
PPARG P37231 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALB P02768 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FBP1 P09467 5/20 0.39

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
SCHEMBL6772318 0.93 ALDH1A1 (0.48) TLR7TLR8NUDT1PPARGALDH1A1
SCHEMBL6783392 0.89 TLR7 (0.47) TLR7TLR8NUDT1ALDH1A1LMNA
SCHEMBL6777785 0.89 TLR7 (0.41) TLR7TLR8NUDT1ALDH1A1
SCHEMBL6776452 0.86 TLR7 (0.46) TLR7TLR8NUDT1ALDH1A1
SCHEMBL4793106 0.85 FBP1 (0.45) TLR7TLR8PPARGALDH1A1LMNA
SCHEMBL6773544 0.84 TLR7 (0.51) TLR7TLR8NUDT1
SCHEMBL6780460 0.84 TLR7 (0.44) TLR7TLR8NUDT1ALDH1A1LMNA
SCHEMBL5750412 0.84 TLR8 (0.58) TLR7TLR8NUDT1PPARG
SCHEMBL6782361 0.84 PTGER4 (0.42) TLR7TLR8PPARGALDH1A1LMNA
SCHEMBL6778701 0.83 TLR7 (0.40) TLR7TLR8NUDT1

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-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed