SCHEMBL8076471

SCHEMBL8076471

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

nearest known ligand 0.43

Predicted protein targets (top 17)

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
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
KCNH2 Q12809 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
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

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
SCHEMBL8076468 0.97 TRPA1 (0.43) TRPA1MAPTNFE2L2CYP19A1MAOA
SCHEMBL28965317 0.89 DHFR (0.37) TRPA1MAPTNFE2L2CYP19A1MAOA
SCHEMBL7549672 0.88 TTR (0.44) MAPTNFE2L2TSHRSMN1; SMN2TTR
SCHEMBL38675 0.88 TTR (0.44) MAPTNFE2L2TSHRSMN1; SMN2TTR
SCHEMBL757243 0.87 TTR (0.41) MAPTNFE2L2MAOATSHRSMN1; SMN2
SCHEMBL11656743 0.87 TTR (0.43) NFE2L2TSHRSMN1; SMN2TTRLMNA
SCHEMBL1719173 0.86 TRPA1 (0.41) TRPA1MAPTNFE2L2CYP19A1MAOA
SCHEMBL11537919 0.84 TTR (0.47) TSHRSMN1; SMN2TTR

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