SCHEMBL22012631

SCHEMBL22012631

O=[Si]=NC(=O)Nc1c2c(cc3c1C(=O)CC3)CCC2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 17/20 0.41
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL21962723 0.81 NLRP3 (0.47) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22012974 0.80 NLRP3 (0.46) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL25033905 0.76 NLRP3 (0.46) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL30244055 0.76 NLRP3 (0.46) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22012187 0.73 NLRP3 (0.49) NLRP3ALDH1A1
SCHEMBL22013010 0.73 NLRP3 (0.43) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL25831042 0.71 NLRP3 (0.50) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL21646588 0.70 NLRP3 (0.49) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22266139 0.70 ALDH1A1 (0.53) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22012365 0.68 NLRP3 (0.45) NLRP3ALDH1A1ATMSMN1; SMN2

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