SCHEMBL25856423

SCHEMBL25856423

Nc1cc(C2CC2)c(-c2ccc(C#CBr)cc2O)nn1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.30

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
SCHEMBL25864814 0.85 NLRP3 (0.31) NLRP3
SCHEMBL25859445 0.83 NLRP3 (0.35) NLRP3
SCHEMBL25856428 0.79 NLRP3 (0.36) NLRP3
SCHEMBL25859504 0.75
SCHEMBL25858377 0.73 NLRP3 (0.35) NLRP3
SCHEMBL25861298 0.70 KDM4E (0.41)
SCHEMBL25859845 0.69 NLRP3 (0.36) NLRP3
SCHEMBL25858493 0.68 BACE1 (0.33) NLRP3
SCHEMBL25859518 0.67 NLRP3 (0.37) NLRP3
SCHEMBL31314320 0.65

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