SCHEMBL6779020

SCHEMBL6779020

CCCCS(=O)(=O)NCCn1c(C)nc2c(N)nc(C)c(C)c21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.33
CYP3A4 P08684 1/20 0.32
RELA Q04206 4/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TLR8 Q9NR97 1/20 0.32
PIM1 P11309 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30

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
SCHEMBL6783729 0.94 TLR7 (0.37) TLR7CYP3A4RELAKDM4EALDH1A1
SCHEMBL6777327 0.89 TLR7 (0.34) TLR7PIM1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6778418 0.84 TLR7 (0.39) TLR7PIM1CSNK2A2CSNK2BCSNK2A1
SCHEMBL4794387 0.84 CSNK2A1 (0.35) TLR7CYP3A4KDM4EALDH1A1GAA
SCHEMBL5031355 0.84 TLR7 (0.40) TLR7PIM1CSNK2A2CSNK2BCSNK2A1
SCHEMBL5338446 0.83 CSNK2A1 (0.34) TLR7CYP3A4KDM4EALDH1A1MAPT
SCHEMBL4793436 0.82 KDM4E (0.35) TLR7CYP3A4KDM4EALDH1A1MAPT
SCHEMBL4872231 0.82 CSNK2A1 (0.35) TLR7PIM1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6783236 0.81 GRIA1 (0.33) TLR7
SCHEMBL4870279 0.81 TLR7 (0.48) TLR7RELATLR8

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