SCHEMBL30770434

SCHEMBL30770434

CNCc1cc(F)c([S@@](N)(=O)=NC(=O)Nc2c3c(cc4c2CCC4)CCC3)s1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 15/20 0.45
GSTO1 P78417 1/20 0.36
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL22012260 1.00 NLRP3 (0.45) NLRP3GSTO1ATMSMN1; SMN2
SCHEMBL25033618 1.00 NLRP3 (0.45) NLRP3GSTO1ATMSMN1; SMN2
SCHEMBL30243707 1.00 NLRP3 (0.45) NLRP3GSTO1ATMSMN1; SMN2
SCHEMBL25034011 0.98 NLRP3 (0.44) NLRP3GSTO1
SCHEMBL21962322 0.98 NLRP3 (0.44) NLRP3GSTO1
SCHEMBL25034195 0.98 NLRP3 (0.44) NLRP3GSTO1
SCHEMBL22013679 0.88 NLRP3 (0.41) NLRP3GSTO1
SCHEMBL22012515 0.88 NLRP3 (0.42) NLRP3GSTO1
SCHEMBL30244205 0.88 NLRP3 (0.42) NLRP3GSTO1
SCHEMBL30770379 0.88 NLRP3 (0.42) NLRP3GSTO1

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