SCHEMBL6780382

SCHEMBL6780382

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNS(=O)(=O)c1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.44
TLR8 Q9NR97 4/20 0.43
KDM4E B2RXH2 1/20 0.36
APLNR P35414 4/20 0.36
SCN9A Q15858 1/20 0.35
GLO1 Q04760 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
NUDT1 P36639 1/20 0.34
SGK1 O00141 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
SCHEMBL6778238 0.90 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL6783636 0.88 TLR7 (0.39) TLR7TLR8NUDT1
SCHEMBL6783392 0.88 TLR7 (0.47) TLR7TLR8KDM4ENUDT1
SCHEMBL6779845 0.87 KDM4E (0.38) TLR7KDM4ESCN9AGLO1SLC40A1
SCHEMBL6779938 0.86 TLR7 (0.41) TLR7TLR8KDM4EAPLNRSCN9A
SCHEMBL6775218 0.85 POLB (0.42) TLR7TLR8
SCHEMBL6778739 0.84 TLR7 (0.40) TLR7TLR8KDM4EAPLNRSCN9A
SCHEMBL6776957 0.83 TLR7 (0.42) TLR7TLR8NUDT1
SCHEMBL6768596 0.83 MCHR1 (0.47) TLR7TLR8
SCHEMBL6780460 0.83 TLR7 (0.44) 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-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed