SCHEMBL27573239

SCHEMBL27573239

COc1cccnc1S(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 11/20 0.56
PLAU P00749 1/20 0.45
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL30876165 0.84 NFE2L2 (0.55) NFE2L2PLAUPDGFRBPDGFRAALDH1A1
SCHEMBL5700188 0.83 NFE2L2 (0.58) NFE2L2PLAUPDGFRBPDGFRAALDH1A1
Ammonia Solution, Strong SCHEMBL29260132 0.82 NFE2L2 (0.54) NFE2L2PLAUPDGFRBPDGFRAALDH1A1
SCHEMBL24458050 0.81 NFE2L2 (0.56) NFE2L2PLAUPDGFRBPDGFRAALDH1A1
SCHEMBL22831254 0.81 NFE2L2 (0.56) NFE2L2PLAUPDGFRBPDGFRAALDH1A1
SCHEMBL27326888 0.80 NFE2L2 (0.55) NFE2L2PLAUPDGFRBPDGFRAALDH1A1
SCHEMBL3721266 0.79 NFE2L2 (0.54) NFE2L2PLAUPOLBMEN1NPC1
SCHEMBL1256203 0.75 NPC1 (0.49) NFE2L2PLAUALDH1A1POLBSLC40A1
SCHEMBL29516525 0.75 NFE2L2 (0.40) NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL4998230 0.75 KDM4E (0.45) PLAUALDH1A1NPC1GAARAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116200393-A Mixed broad-spectrum nucleic acid aptamer for simultaneously detecting 9 sulfonamide drugs 福州大学 2023-06-02 CN disclosed
CN-100358901-C Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE INC (US) 2008-01-02 CN disclosed
CN-1329397-C Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE PHARMACY (US) 2007-08-01 CN disclosed
CN-1781916-A Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE INC (US) 2006-06-07 CN disclosed
CN-1568325-A Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE (US) 2005-01-19 CN disclosed