SCHEMBL22011776

SCHEMBL22011776

Cc1oc(S(=N)(N)=O)cc1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ATP2A2 P16615 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATP2A3 Q93084 1/20 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
SCHEMBL18007542 0.71 CA2 (0.40) L3MBTL1KDM4EALDH1A1
SCHEMBL22012006 0.67
SCHEMBL21720688 0.66 ALDH1A1 (0.34) L3MBTL1KDM4EALDH1A1CYP1A2MAPT
SCHEMBL22012005 0.66 LIPG (0.30)
SCHEMBL10165404 0.65 ALDH1A1 (0.37) L3MBTL1KDM4EALDH1A1CYP1A2MAPT
SCHEMBL20680951 0.64
SCHEMBL820796 0.63 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1CYP1A2MAPT
SCHEMBL31748021 0.63 TDP1 (0.42) L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL20680922 0.63
SCHEMBL15307453 0.62 ALDH1A1 (0.34) L3MBTL1KDM4EALDH1A1CYP1A2MAPT

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