SCHEMBL25859445

SCHEMBL25859445

CNc1cc(C2CC2)c(-c2ccc(C#CBr)cc2O)nn1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.35
IL1B P01584 4/20 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
SCHEMBL25858377 0.91 NLRP3 (0.35) NLRP3IL1B
SCHEMBL25859845 0.87 NLRP3 (0.36) NLRP3IL1B
SCHEMBL25856423 0.83 NLRP3 (0.30) NLRP3
SCHEMBL25859262 0.81 IL1B (0.43) NLRP3IL1B
SCHEMBL31314107 0.76 NLRP3 (0.34) NLRP3
SCHEMBL25859161 0.74 NLRP3 (0.46) NLRP3IL1B
SCHEMBL31314305 0.72 NLRP3 (0.35) NLRP3
SCHEMBL31314120 0.72 NLRP3 (0.44) NLRP3
SCHEMBL29030571 0.71 NLRP3 (0.61) NLRP3IL1B
SCHEMBL31314138 0.71 BIRC2 (0.34) NLRP3

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
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed