SCHEMBL8076468

SCHEMBL8076468

Nc1cccc(C=Cc2ccccc2)c1S(=O)(=O)O.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.43
MAPT P10636 1/20 0.41
NFE2L2 Q16236 5/20 0.40
CYP19A1 P11511 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
DHFR P00374 1/20 0.39
TTR P02766 1/20 0.37
CHAT P28329 1/20 0.36
GRM4 Q14833 1/20 0.36
LMNA P02545 1/20 0.36
PPARG P37231 1/20 0.36
NR1H2 P55055 1/20 0.35

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
SCHEMBL29413345 0.98 TRPA1 (0.44) TRPA1MAPTNFE2L2CYP19A1MAOA
SCHEMBL722164 0.98 TRPA1 (0.44) TRPA1MAPTNFE2L2CYP19A1MAOA
SCHEMBL8076471 0.97 TRPA1 (0.43) TRPA1MAPTNFE2L2CYP19A1MAOA
SCHEMBL11656743 0.90 TTR (0.43) NFE2L2TTRLMNA
SCHEMBL28965317 0.89 DHFR (0.37) TRPA1MAPTNFE2L2CYP19A1MAOA
SCHEMBL38675 0.88 TTR (0.44) MAPTNFE2L2TTRLMNA
SCHEMBL7549672 0.88 TTR (0.44) MAPTNFE2L2TTRLMNA
SCHEMBL757243 0.87 TTR (0.41) MAPTNFE2L2MAOATTR
SCHEMBL1719173 0.86 TRPA1 (0.41) TRPA1MAPTNFE2L2CYP19A1MAOA
SCHEMBL3936740 0.84 TRPA1 (0.46) TRPA1MAPTNFE2L2TTRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6045586-A IMPROVING THE SUN PROTECTION FACTOR (SPF) OF TEXTILE FIBRE BY TREATING WITH 1,3,5-TRIAZINE DERIVATIVES OF GIVEN FORMULA CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-04-04 US disclosed