SCHEMBL28624955

SCHEMBL28624955

Cc1ccc(N(C(N)=O)[SH](=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 9/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
KIF11 P52732 1/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PKM P14618 2/20 0.34
HTT P42858 2/20 0.34
ATM Q13315 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 1/20 0.34
NLRP1 Q9C000 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
NTSR1 P30989 1/20 0.34

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
SCHEMBL1954828 0.76 ALOX5 (0.47) CES2CES1ALOX5ALDH1A1TSHR
SCHEMBL3282167 0.74 RAB9A (0.52) CES2CES1ALOX5ALDH1A1TSHR
SCHEMBL16937417 0.74 ALDH1A1 (0.50) CES2CES1ALOX5ALDH1A1TSHR
SCHEMBL11030370 0.74 ALOX5 (0.46) CES2CES1ALOX5ALDH1A1TSHR
SCHEMBL21597430 0.72 ALOX5 (0.44) CES2CES1ALOX5ALDH1A1TSHR
SCHEMBL10423102 0.72 ALOX5 (0.48) CES2CES1ALOX5ALDH1A1TSHR
SCHEMBL3566684 0.72 ALOX5 (0.44) CES2CES1ALOX5ALDH1A1TSHR
SCHEMBL3077185 0.69 ALOX5 (0.42) CES2CES1ALOX5ALDH1A1TSHR
SCHEMBL77001 0.69 TRPM8 (0.53) CES2CES1ALOX5ALDH1A1TSHR
SCHEMBL6037528 0.69 ALOX5 (0.42) CES2CES1ALOX5ALDH1A1TSHR

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
CN-214075426-U Filtration extraction element of p-toluenesulfonylurea 吉安市海洲医药化工有限公司 2021-08-31 CN claimed