SCHEMBL30770628

SCHEMBL30770628

CN1CCc2sc([S@@](N)(=O)=NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 15/20 0.43
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
F10 P00742 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
SCHEMBL30243962 1.00 NLRP3 (0.43) NLRP3ATMSMN1; SMN2ALDH1A1PARP1
SCHEMBL22012763 1.00 NLRP3 (0.43) NLRP3ATMSMN1; SMN2ALDH1A1PARP1
SCHEMBL30244308 1.00 NLRP3 (0.43) NLRP3ATMSMN1; SMN2ALDH1A1PARP1
SCHEMBL22013513 0.92 NLRP3 (0.43) NLRP3ATMSMN1; SMN2ALDH1A1PARP1
SCHEMBL30770356 0.92 NLRP3 (0.43) NLRP3ATMSMN1; SMN2ALDH1A1PARP1
SCHEMBL30243890 0.92 NLRP3 (0.43) NLRP3ATMSMN1; SMN2ALDH1A1PARP1
SCHEMBL25034025 0.83 PRMT5 (0.35) NLRP3ATMSMN1; SMN2ALDH1A1PARP1
SCHEMBL22012981 0.82 NLRP3 (0.39) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL20692173 0.82 NLRP3 (0.45) NLRP3
SCHEMBL30243871 0.82 NLRP3 (0.45) 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
EP-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed