SCHEMBL29899372

SCHEMBL29899372

CC(C)c1nn(CC(=O)O)c(=O)cc1O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL29899355 0.83 ALDH1A1 (0.50) NLRP3ALDH1A1GAAHSP90AA1
SCHEMBL26981859 0.83 LMNA (0.42) NLRP3LMNAALDH1A1TDP1L3MBTL1
SCHEMBL26730529 0.83 LMNA (0.42) NLRP3LMNAALDH1A1TDP1L3MBTL1
SCHEMBL26982604 0.77 NLRP3 (0.62) NLRP3LMNAALDH1A1
SCHEMBL24376356 0.74 MAPK8 (0.37) LMNAALDH1A1TDP1L3MBTL1GAA
SCHEMBL26733459 0.74 NLRP3 (0.41) NLRP3LMNAALDH1A1L3MBTL1GAA
SCHEMBL30645975 0.74 NLRP3 (0.39) NLRP3LMNAALDH1A1L3MBTL1
SCHEMBL30203027 0.74 NLRP3 (0.44) NLRP3ALDH1A1
SCHEMBL26730555 0.74 NLRP3 (0.44) NLRP3ALDH1A1
SCHEMBL28781503 0.74 ALDH1A1 (0.45) NLRP3ALDH1A1L3MBTL1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4301753-A1 4-ALKOXY-6-OXO-PYRIDAZINE DERIVATIVES MODULATING NLRP3 Janssen Pharmaceutica NV (BE) 2024-01-10 EP disclosed
WO-2022184842-A1 4-ALKOXY-6-OXO-PYRIDAZINE DERIVATIVES MODULATING NLRP3 JANSSEN PHARMACEUTICA NV (BE) 2022-09-09 WO disclosed