SCHEMBL28866720

SCHEMBL28866720

C=CC(=O)Nc1ccccc1S(=O)(=O)O.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.49
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
RORC P51449 5/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
BTK Q06187 2/20 0.40
TTR P02766 1/20 0.39
FABP4 P15090 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK14 Q16539 1/20 0.39
F13A1 P00488 1/20 0.39
LMNA P02545 1/20 0.39
TGM1 P22735 1/20 0.39
TGM3 Q08188 1/20 0.39

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
SCHEMBL29588334 0.98 TGM2 (0.50) TGM2PTPN1PTPN11RORCCA1
SCHEMBL1813156 0.98 TGM2 (0.50) TGM2PTPN1PTPN11RORCCA1
SCHEMBL6655989 0.84 TGM2 (0.42) TGM2PTPN1PTPN11BTKTTR
SCHEMBL29733701 0.83 CA1 (0.59) TGM2CA1CA2
SCHEMBL964767 0.83 CA1 (0.59) TGM2CA1CA2
SCHEMBL17327886 0.83 PTPN1 (0.48) TGM2PTPN1PTPN11BTKTTR
SCHEMBL11800487 0.82 CA1 (0.40) CA1CA2TTRFABP4CCNA2
SCHEMBL29022256 0.82 TGM2 (0.47) TGM2PTPN1PTPN11RORCCA1
SCHEMBL3813620 0.82 TGM2 (0.47) TGM2PTPN1PTPN11RORCCA1
SCHEMBL613090 0.80 TGM2 (0.65) TGM2PTPN1PTPN11BTKF13A1

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
CN-109020845-A A kind of preparation method of pair of methacryl amido benzene sulfonic acid sodium salt 中国科学院成都有机化学有限公司 2018-12-18 CN disclosed