SCHEMBL28889111

SCHEMBL28889111

Cc1ccc(Sc2cc(Cl)ccc2NS(C)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.55
PTGS1 P23219 3/20 0.44
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
CYP2C9 P11712 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
APP P05067 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
PGR P06401 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL28401357 0.91 PTGS2 (0.52) PTGS2PTGS1ALDH1A1MAPTCYP2C9
SCHEMBL28401352 0.89 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL28397388 0.88 PTGS2 (0.60) PTGS2PTGS1ALDH1A1MAPTCYP2C9
SCHEMBL28406477 0.81 PTGS2 (0.56) PTGS2PTGS1ALDH1A1MAPTLMNA
SCHEMBL8100934 0.80 CA2 (0.44) PTGS2PTGS1APP
SCHEMBL28399083 0.80 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL28393642 0.79 PTGS2 (0.59) PTGS2PTGS1ALDH1A1MAPT
SCHEMBL9538401 0.79 ALDH1A1 (0.44) PTGS2PTGS1ALDH1A1MAPTCYP2C9
SCHEMBL28396015 0.78 PTGS2 (0.59) PTGS2PTGS1ALDH1A1LMNAKMT2A
SCHEMBL4968060 0.74 PTGS1 (0.50) PTGS2PTGS1KMT2AMEN1

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
CN-111170914-B Selenium/sulfuryl sulfonyl arylamine compound and selenium/sulfuration method thereof 成都大学 2021-12-21 CN disclosed
CN-111170914-A Selenium/sulfuryl sulfonyl arylamine compound and selenium/sulfuration method thereof 成都大学 2020-05-19 CN disclosed