SCHEMBL30842218

SCHEMBL30842218

COc1ccc(Cn2c(CN3CCCC3=O)nc3c(N)nc4cc(Br)ccc4c32)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 4/20 0.54
▸ TLR7 Q9NYK1 14/20 0.49
▸ TLR8 Q9NR97 5/20 0.44
▸ KCNH2 Q12809 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL20475982 1.00 NLRP3 (0.54) NLRP3TLR7TLR8KCNH2GAA
SCHEMBL30842213 0.85 KCNH2 (0.44) NLRP3KCNH2GAAMAPTHSD17B10
SCHEMBL20741495 0.85 KCNH2 (0.44) NLRP3KCNH2GAAMAPTHSD17B10
SCHEMBL20762168 0.84 NLRP3 (0.78) NLRP3TLR7TLR8KCNH2
SCHEMBL26862594 0.83 NLRP3 (0.59) NLRP3TLR7TLR8
SCHEMBL20762166 0.81 TLR7 (0.55) NLRP3TLR7TLR8
SCHEMBL30842202 0.79 KCNH2 (0.42) KCNH2GAAMAPTHSD17B10
SCHEMBL20475984 0.79 KCNH2 (0.42) KCNH2GAAMAPTHSD17B10
SCHEMBL21949601 0.78 TLR7 (0.55) TLR7TLR8
SCHEMBL20761874 0.78 NLRP3 (0.52) NLRP3TLR7TLR8

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-110325534-B Substituted imidazoquinolines as NLRP3 modulators 先天肿瘤免疫公司 2024-04-05 — — CN disclosed
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