SCHEMBL29057282

SCHEMBL29057282

CCCC(=O)NCCn1cc2c(n1)c(N)nc1cc(-c3cc[nH]n3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.42
TLR8 Q9NR97 4/20 0.42
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
TSHR P16473 1/20 0.33
NAMPT P43490 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GSK3B P49841 1/20 0.32

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
SCHEMBL29057286 0.94 TLR7 (0.40) TLR7TLR8MTNR1AMTNR1BTSHR
SCHEMBL29320220 0.91 TLR8 (0.37) TLR7TLR8NAMPT
SCHEMBL30539861 0.91 TLR7 (0.43) TLR7TLR8
SCHEMBL29320192 0.90 TLR7 (0.39) TLR7TLR8MTNR1AMTNR1BNAMPT
SCHEMBL23037710 0.89 TLR7 (0.40) TLR7TLR8NAMPT
SCHEMBL29322691 0.88 TLR8 (0.35) TLR7TLR8NAMPT
SCHEMBL29320204 0.88 TLR7 (0.38) TLR7TLR8NAMPTKDM4EMAPT
SCHEMBL30539846 0.88 TLR8 (0.38) TLR7TLR8NAMPT
SCHEMBL23037589 0.88 TLR8 (0.38) TLR7TLR8NAMPT
SCHEMBL29315509 0.87 TLR7 (0.39) TLR7TLR8MAPT

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
CN-112521387-B NLRP3 modulators 先天肿瘤免疫公司 2023-08-22 CN disclosed