SCHEMBL29036550

SCHEMBL29036550

CC(C)n1c([N+]2([O-])CCCCC2)nc2c(N)nc3cc(-c4cc[nH]n4)ccc3c21

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.33

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
SCHEMBL29036541 0.86 NLRP3 (0.38) TLR7
SCHEMBL30074834 0.75 CHEK1 (0.33) TLR7
SCHEMBL26619724 0.75 CHEK1 (0.33) TLR7
SCHEMBL26619733 0.75 CHEK1 (0.33) TLR7
SCHEMBL29036561 0.74
SCHEMBL21733013 0.73 TLR7 (0.39) TLR7
SCHEMBL21733018 0.72 TLR7 (0.39) TLR7
SCHEMBL26713588 0.72 PROKR1 (0.35) TLR7
SCHEMBL26619894 0.72 PROKR1 (0.35) TLR7
SCHEMBL26619910 0.72 PROKR1 (0.35) TLR7

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-115244052-A NLRP3 modulators 先天肿瘤免疫公司 2022-10-25 CN disclosed