SCHEMBL22282113

SCHEMBL22282113

Cc1cnccc1C(C)(C)CS

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.35
CYP2E1 P05181 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C8 P10632 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2A6 P11509 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2B6 P20813 3/20 0.35
CYP2C19 P33261 3/20 0.35
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
TRPA1 O75762 1/20 0.33
SIRT3 Q9NTG7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LATS1 O95835 1/20 0.31
LATS2 Q9NRM7 1/20 0.31
ALDH1A1 P00352 1/20 0.30
AOC1 P19801 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
SCHEMBL18626328 0.82 PRKCH (0.34) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL22043381 0.79 PRKCH (0.33) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL682267 0.77 TRPA1 (0.37) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL18626327 0.74 PRKCH (0.34) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL20113126 0.74 TSHR (0.35) PRKCHPRKCEPRKCQPRKCDALDH1A1
SCHEMBL31291226 0.74 TDP1 (0.38) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL30947593 0.74 ALDH1A1 (0.38) CYP1A2CYP3A4PRKCHPRKCEPRKCQ
SCHEMBL27842129 0.74 TDP1 (0.38) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL25564526 0.72 CA12 (0.43) CYP1A2CYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL1311356 0.71 ALDH1A1 (0.45) CYP1A2TRPA1ALDH1A1

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-2020154499-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 WO disclosed