SCHEMBL22282153

SCHEMBL22282153

CNc1c2c(cc3c1CC3C)CCC2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.34
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL22011826 0.85 NLRP3 (0.35) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL19505705 0.80 NLRP3 (0.46) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL23691487 0.80 NLRP3 (0.32) NLRP3ATMSMN1; SMN2
SCHEMBL26590829 0.78 NLRP3 (0.45) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL20692248 0.76 NLRP3 (0.44) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL19476121 0.76 NLRP3 (0.42) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL22282336 0.67 NLRP3 (0.33) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL22282131 0.67 NLRP3 (0.40) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL21586557 0.67 NLRP3 (0.34) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL30041669 0.66 HTR2A (0.32)

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