SCHEMBL28401352

SCHEMBL28401352

Cc1ccc(Sc2ccc(Cl)cc2NS(C)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.55
PTGS1 P23219 2/20 0.46
CCR2 P41597 6/20 0.46
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL28889111 0.89 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL28401357 0.83 PTGS2 (0.52) PTGS2PTGS1CCR2
SCHEMBL28397388 0.79 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL29217112 0.75 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL11178254 0.74 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL28393116 0.74 PTGS2 (0.58) PTGS2PTGS1MAPK1L3MBTL1
SCHEMBL1688411 0.73 RAPGEF4 (0.49) PTGS2PTGS1CCR2
SCHEMBL25273321 0.72 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL3792756 0.72 KIF11 (0.50) PTGS2PTGS1CCR2
SCHEMBL28406477 0.72 PTGS2 (0.56) PTGS2PTGS1

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