SCHEMBL24855484

SCHEMBL24855484

C[C@]1(O)C[C@@H](Nc2nnc(-c3c(O)cccc3F)c3ccccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.43
IL1B P01584 8/20 0.41
TNF P01375 2/20 0.41
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
KRAS P01116 6/20 0.34

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
SCHEMBL30181221 1.00 NLRP3 (0.43) NLRP3IL1BTNFKDM4EHSD17B10
SCHEMBL29180688 1.00 NLRP3 (0.43) NLRP3IL1BTNFKDM4EHSD17B10
SCHEMBL30180843 0.88 NLRP3 (0.40) NLRP3IL1BTNFKDM4E
SCHEMBL24855763 0.88 NLRP3 (0.40) NLRP3IL1BTNFKDM4E
SCHEMBL24855380 0.86 NLRP3 (0.40) NLRP3IL1BTNFKDM4E
SCHEMBL30181079 0.86 NLRP3 (0.40) NLRP3IL1BTNFKDM4E
SCHEMBL24574798 0.84 IL1B (0.57) NLRP3IL1BTNF
SCHEMBL31280946 0.84 IL1B (0.57) NLRP3IL1BTNF
SCHEMBL30488566 0.84 NLRP3 (0.40) NLRP3IL1BTNFKDM4EHSD17B10
SCHEMBL26434881 0.80 IL1B (0.49) 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-2023275366-A1 NLRP3 INFLAMMASOME INHIBITORS ASTRAZENECA AB (SE) 2023-01-05 WO disclosed