SCHEMBL22012490

SCHEMBL22012490

N/[SH](=O)=N\C(=O)Nc1c2c(cc3c1CC3)CCC2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 17/20 0.43
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL22002684 0.97 NLRP3 (0.45) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL21893841 0.84 NLRP3 (0.46) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL25031407 0.83 NLRP3 (0.46) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL25031965 0.83 NLRP3 (0.38) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL23481781 0.82 NLRP3 (0.37) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22002748 0.82 NLRP3 (0.48) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL25033694 0.78 NLRP3 (0.44) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22002808 0.77 NLRP3 (0.44) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL21893007 0.77
SCHEMBL21892963 0.77

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
WO-2020154499-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 WO disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed