SCHEMBL30108707

SCHEMBL30108707

CN1CCCC(Nc2nnc(-c3ccc(C(F)(F)F)cc3O)c3ccccc23)C1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 15/20 0.78
NLRP3 Q96P20 9/20 0.73

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
SCHEMBL29696881 1.00 IL1B (0.78) IL1BNLRP3
SCHEMBL29275873 1.00 IL1B (0.78) IL1BNLRP3
SCHEMBL24840756 1.00 IL1B (0.78) IL1BNLRP3
SCHEMBL24574982 1.00 IL1B (0.78) IL1BNLRP3
SCHEMBL29275765 0.97 IL1B (0.73) IL1BNLRP3
Formic Acid SCHEMBL29276027 0.96 IL1B (0.71) IL1BNLRP3
SCHEMBL30349828 0.95 IL1B (0.73) IL1BNLRP3
SCHEMBL30349720 0.95 IL1B (0.73) IL1BNLRP3
SCHEMBL28961890 0.94 IL1B (0.68) IL1BNLRP3
SCHEMBL28961887 0.94 IL1B (0.68) IL1BNLRP3

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-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 CN disclosed