SCHEMBL25256899

SCHEMBL25256899

NOS(=O)(=O)c1cccc(C=Cc2ccccc2)c1S(=O)(=O)ON

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.39
TRPA1 O75762 2/20 0.39
PPARG P37231 3/20 0.38
LMNA P02545 1/20 0.38
DHFR P00374 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
CYP19A1 P11511 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
NR1H2 P55055 1/20 0.35
IDO1 P14902 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
SCHEMBL31390770 0.98 NFE2L2 (0.38) NFE2L2TRPA1PPARGLMNADHFR
SCHEMBL29156656 0.98 NFE2L2 (0.38) NFE2L2TRPA1PPARGLMNADHFR
SCHEMBL28332360 0.87 NFE2L2 (0.43) NFE2L2TRPA1PPARGLMNAPTGES2
SCHEMBL28048291 0.79 TRPA1 (0.37) NFE2L2TRPA1PPARGLMNA
SCHEMBL28012794 0.78 GAA (0.35) NFE2L2PPARGLMNAPTGES2
SCHEMBL285312 0.74 TRPA1 (0.47) NFE2L2TRPA1PPARGLMNANR1H2
SCHEMBL28048244 0.73 KDM4E (0.35) NFE2L2TRPA1PPARGLMNACYP19A1
SCHEMBL5145247 0.73 TRPA1 (0.46) NFE2L2TRPA1PPARGLMNANR1H2
SCHEMBL3936740 0.73 TRPA1 (0.46) NFE2L2TRPA1PPARGLMNANR1H2
SCHEMBL9357020 0.73 NFE2L2 (0.42) NFE2L2TRPA1PPARGLMNADHFR

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
EP-3850016-B1 OPTICALLY BRIGHTENED LATEXES ARCHROMA IP GMBH (CH) 2024-09-11 EP claimed
EP-3623392-B1 OPTICALLY BRIGHTENED LATEXES ARCHROMA IP GMBH (CH) 2023-07-19 EP claimed