SCHEMBL6779472

SCHEMBL6779472

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.40
TLR7 Q9NYK1 7/20 0.38
TLR8 Q9NR97 6/20 0.37
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR6 P50406 1/20 0.36
NUDT1 P36639 1/20 0.36
CCR1 P32246 1/20 0.36
GAA P10253 1/20 0.35
MMP7 P09237 1/20 0.34
NPY5R Q15761 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6776957 0.90 TLR7 (0.42) TLR7TLR8NUDT1GAAMAPK1
SCHEMBL6783392 0.89 TLR7 (0.47) HTR7TLR7TLR8NUDT1GAA
SCHEMBL6774343 0.88 ALDH1A1 (0.44) HTR7TLR7TLR8HTR1AHTR2A
SCHEMBL6780460 0.87 TLR7 (0.44) TLR7TLR8NUDT1GAAMAPK1
SCHEMBL6778238 0.87 TLR7 (0.44) TLR7TLR8NUDT1GAAMAPK1
SCHEMBL6783227 0.85 TLR7 (0.39) HTR7TLR7TLR8NUDT1GAA
SCHEMBL6775218 0.85 POLB (0.42) HTR7TLR7TLR8HTR1AHTR2A
SCHEMBL6774495 0.85 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL6783636 0.84 TLR7 (0.39) HTR7TLR7TLR8HTR2AHTR6
SCHEMBL6777551 0.83 TLR7 (0.41) 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