SCHEMBL22012427

SCHEMBL22012427

CCC(C)(C)c1ncc(S(C)(=O)=O)s1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.35
LOXL2 Q9Y4K0 9/20 0.35
LOX P28300 1/20 0.35
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL22012429 0.85 LOXL2 (0.33) LOXL2MEN1ALDH1A1LMNAMAPT
SCHEMBL22012021 0.79 FFAR2 (0.39) FFAR2LOXL2LOX
SCHEMBL22020730 0.77 FFAR2 (0.36) FFAR2LOXL2LOX
SCHEMBL11706425 0.77 PTGS2 (0.36) FFAR2LOXL2LOX
SCHEMBL18760827 0.74
SCHEMBL18760825 0.74 SLC6A3 (0.30)
SCHEMBL14309114 0.72
SCHEMBL25933310 0.72 NOS1 (0.40)
SCHEMBL24415624 0.71 XPO1 (0.34)
SCHEMBL22020738 0.71 LOXL2 (0.49) LOXL2LOX

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