SCHEMBL23950201

SCHEMBL23950201

CC(C)c1nn(CC(=O)O)c(=O)c2c(N(C)O)c(C3CC3)nn12

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.35
EPHX2 P34913 1/20 0.33

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
SCHEMBL23950186 0.83 NLRP3 (0.36) NLRP3EPHX2
SCHEMBL23950194 0.81 NLRP3 (0.37) NLRP3EPHX2
SCHEMBL25293967 0.79 NLRP3 (0.34) NLRP3EPHX2
SCHEMBL23950971 0.78 GAA (0.33) NLRP3
SCHEMBL23950454 0.74 NLRP3 (0.48) NLRP3
SCHEMBL23950797 0.71 TOP2A (0.38) NLRP3
SCHEMBL23950172 0.70 NLRP3 (0.60) NLRP3
SCHEMBL25752450 0.70 KDM4E (0.38) NLRP3
SCHEMBL23950967 0.68 CYP2C19 (0.35) NLRP3
SCHEMBL25753005 0.66 NLRP3 (0.51) NLRP3

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-2021209552-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2021-10-21 WO disclosed