SCHEMBL25845405

SCHEMBL25845405

NC(=O)Nc1c2c(cc3c1CCC3)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 16/20 0.51
ALDH1A1 P00352 1/20 0.51
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL18029669 0.98 NLRP3 (0.53) NLRP3ALDH1A1ATMSMN1; SMN2
Potassium SCHEMBL29676171 0.96 NLRP3 (0.51) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL29494713 0.96 NLRP3 (0.51) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22012162 0.94 NLRP3 (0.50) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22251833 0.85 NLRP3 (0.54) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL20692209 0.84 NLRP3 (0.45) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22012974 0.84 NLRP3 (0.46) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL25842999 0.83 NLRP3 (0.46) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL25524236 0.83 ATM (0.42) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL30852987 0.82 NLRP3 (0.63) 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
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed