SCHEMBL25864427

SCHEMBL25864427

C#Cc1ccc(-c2nnc(NC3CC(C)(OC)C3)c3ccccc23)c(O)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
NLRP3 Q96P20 3/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
IL1B P01584 1/20 0.31

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
SCHEMBL25855972 0.90 NLRP3 (0.41) KDM4EHSD17B10NLRP3ALDH1A1LMNA
SCHEMBL25863870 0.89 NLRP3 (0.34) KDM4EHSD17B10NLRP3ALDH1A1LMNA
SCHEMBL25864428 0.87 NLRP3 (0.36) KDM4EHSD17B10NLRP3ALDH1A1LMNA
SCHEMBL25864430 0.84 NLRP3 (0.49) NLRP3IL1B
SCHEMBL25296232 0.78 NLRP3 (0.43) KDM4EHSD17B10NLRP3ALDH1A1LMNA
SCHEMBL25864505 0.78 NLRP3 (0.37) KDM4EHSD17B10NLRP3ALDH1A1LMNA
SCHEMBL30488486 0.78 NLRP3 (0.43) KDM4EHSD17B10NLRP3ALDH1A1LMNA
SCHEMBL25854744 0.78 NLRP3 (0.43) KDM4EHSD17B10NLRP3ALDH1A1LMNA
SCHEMBL25864507 0.78 NLRP3 (0.41) KDM4EHSD17B10NLRP3ALDH1A1LMNA
SCHEMBL25864312 0.77 NLRP3 (0.44) KDM4EHSD17B10NLRP3ALDH1A1LMNA

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