SCHEMBL25855249

SCHEMBL25855249

C#Cc1ccc(-c2nnc(N[C@H]3CCCC[C@@H]3O)c3c2CCCC3)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.52
KCNH2 Q12809 1/20 0.49
TNF P01375 1/20 0.32
IL1B P01584 1/20 0.32
LATS1 O95835 2/20 0.30
LATS2 Q9NRM7 1/20 0.30
IRAK1 P51617 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
SCHEMBL30108885 0.90 NLRP3 (0.64) NLRP3KCNH2TNFIL1B
SCHEMBL25855087 0.83 NLRP3 (0.49) NLRP3KCNH2TNFIL1BLATS1
SCHEMBL27224408 0.81 NLRP3 (0.74) NLRP3KCNH2TNFIL1B
SCHEMBL30157063 0.81 NLRP3 (0.74) NLRP3KCNH2TNFIL1B
Hydrochloric Acid SCHEMBL27224466 0.80 NLRP3 (0.73) NLRP3KCNH2TNFIL1B
SCHEMBL30932864 0.80 NLRP3 (0.73) NLRP3KCNH2TNFIL1B
Hydrochloric Acid SCHEMBL30157098 0.80 NLRP3 (0.73) NLRP3KCNH2TNFIL1B
SCHEMBL25302297 0.80 NLRP3 (0.57) NLRP3IL1B
SCHEMBL25303433 0.80 NLRP3 (0.57) NLRP3IL1B
SCHEMBL25854954 0.80 NLRP3 (0.57) NLRP3IL1B

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