SCHEMBL22014901

SCHEMBL22014901

CC(C)c1c(F)c(C#N)cc(C2CC2)c1CC(=O)N=[SH](=O)c1ccc(CN(C)C)cc1F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.32
KDM1A O60341 2/20 0.30

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
SCHEMBL22014362 0.85 KDM1A (0.32) KDM1A
SCHEMBL20698760 0.81 AOC3 (0.32) AOC3KDM1A
SCHEMBL25067224 0.78 AOC3 (0.35) AOC3
SCHEMBL23692111 0.77 NLRP3 (0.36)
SCHEMBL22014363 0.76 FASN (0.32)
SCHEMBL30791038 0.73 NLRP3 (0.35)
SCHEMBL20698952 0.73 NLRP3 (0.35)
SCHEMBL20681231 0.73 NLRP3 (0.35)
SCHEMBL23692244 0.72 NLRP3 (0.35)
SCHEMBL23319876 0.72 NLRP3 (0.35)

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-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed