SCHEMBL25864422

SCHEMBL25864422

C=C(CC)c1ccc(-c2nnc(NC3CC(C)(OC)C3)c3c2CCCC3)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.53
IL1B P01584 6/20 0.35
TNF P01375 1/20 0.35

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
SCHEMBL25863895 0.90 NLRP3 (0.54) NLRP3IL1BTNF
SCHEMBL25863886 0.90 NLRP3 (0.55) NLRP3IL1BTNF
SCHEMBL25855964 0.90 NLRP3 (0.66) NLRP3IL1BTNF
SCHEMBL25864417 0.89 NLRP3 (0.55) NLRP3IL1BTNF
SCHEMBL25864418 0.89 NLRP3 (0.55) NLRP3IL1BTNF
SCHEMBL25863887 0.89 NLRP3 (0.55) NLRP3IL1BTNF
SCHEMBL25864419 0.89 NLRP3 (0.55) NLRP3IL1BTNF
SCHEMBL25864423 0.87 NLRP3 (0.53) NLRP3IL1BTNF
SCHEMBL25863894 0.86 NLRP3 (0.52) NLRP3IL1BTNF
SCHEMBL25864426 0.85 NLRP3 (0.55) NLRP3IL1BTNF

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