SCHEMBL22705201

SCHEMBL22705201

C=CNc1c(C(C)C)cc(C#N)cc1C(C)C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.31
ALB P02768 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 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
SCHEMBL22705269 0.81 TTR (0.31) TTRALBGAA
SCHEMBL22025951 0.77 TTR (0.33) TTRALB
SCHEMBL22705202 0.77
SCHEMBL2154261 0.73 TTR (0.39) TTRALBALDH1A1
SCHEMBL25138979 0.73 KDM4E (0.34) TTRALBKDM4EALDH1A1
SCHEMBL22012206 0.71 GAA (0.46) KDM4EALDH1A1LMNAGAA
SCHEMBL22705144 0.71 ABCC9 (0.37)
SCHEMBL22899690 0.71 TTR (0.38) TTRALBALDH1A1
SCHEMBL19505731 0.71 TTR (0.38) TTRALBALDH1A1LMNA
SCHEMBL2155740 0.71 TTR (0.38) TTRALBKDM4EALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445756-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-07-06 EP disclosed
EP-3445757-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RES INC (US) 2020-11-25 EP disclosed