SCHEMBL28396015

SCHEMBL28396015

COc1ccc(Sc2cc(C)ccc2NS(C)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.59
FFAR4 Q5NUL3 1/20 0.49
PTGS1 P23219 4/20 0.44
HTR1A P08908 2/20 0.43
HTR3A P46098 2/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP19A1 P11511 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
SCHEMBL28406477 0.92 PTGS2 (0.56) PTGS2FFAR4PTGS1ALDH1A1LMNA
SCHEMBL28397388 0.89 PTGS2 (0.60) PTGS2PTGS1ALDH1A1LMNAHPGD
SCHEMBL28401357 0.83 PTGS2 (0.52) PTGS2PTGS1HTR1AHTR3AALDH1A1
SCHEMBL8092113 0.83 PTGS2 (0.56) PTGS2FFAR4PTGS1ALDH1A1LMNA
SCHEMBL28393642 0.83 PTGS2 (0.59) PTGS2PTGS1ALDH1A1HPGD
SCHEMBL28889111 0.78 PTGS2 (0.55) PTGS2PTGS1ALDH1A1LMNAMEN1
SCHEMBL28399083 0.75 PTGS2 (0.55) PTGS2FFAR4PTGS1GAAMAPK1
SCHEMBL5316082 0.75 HTR1A (0.52) HTR1AHTR3AALDH1A1LMNAHPGD
SCHEMBL2760304 0.71 FFAR4 (0.56) PTGS2FFAR4PTGS1LMNASMN1; SMN2
SCHEMBL30293256 0.71 FFAR4 (0.56) PTGS2FFAR4PTGS1LMNASMN1; SMN2

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