SCHEMBL25864404

SCHEMBL25864404

C/C=C/c1ccc(-c2nnc(NC3CC(C)(OC)C3)c3ccccc23)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.38
IL1B P01584 6/20 0.34
TNF P01375 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TYR P14679 1/20 0.32
CNR2 P34972 1/20 0.32
MPO P05164 1/20 0.31
PDK2 Q15119 1/20 0.30
MAPT P10636 1/20 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
SCHEMBL25864405 0.91 NLRP3 (0.37) NLRP3IL1BTNFKDM4EHSD17B10
SCHEMBL25864315 0.89 NLRP3 (0.39) NLRP3IL1BTNFKDM4EHSD17B10
SCHEMBL25855821 0.89 NLRP3 (0.46) NLRP3IL1BTNFKDM4EHSD17B10
SCHEMBL25864407 0.89 NLRP3 (0.42) NLRP3IL1BTNFKDM4EHSD17B10
SCHEMBL25864408 0.89 NLRP3 (0.38) NLRP3IL1BTNFKDM4EHSD17B10
SCHEMBL25864402 0.88 NLRP3 (0.40) NLRP3IL1BTNFKDM4EHSD17B10
SCHEMBL25863890 0.84 NLRP3 (0.55) NLRP3IL1BTNFTYRCNR2
SCHEMBL25864320 0.82 NLRP3 (0.39) NLRP3IL1BTNFKDM4EHSD17B10
SCHEMBL25864312 0.81 NLRP3 (0.44) NLRP3IL1BTNFKDM4EHSD17B10
SCHEMBL25855827 0.80 NLRP3 (0.48) NLRP3IL1BTNFKDM4EHSD17B10

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