SCHEMBL28564469

SCHEMBL28564469

C=C(CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
MAPT P10636 3/20 0.54
KEAP1 Q14145 2/20 0.54
NFE2L2 Q16236 2/20 0.54
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
HCRTR2 O43614 1/20 0.50
KMT2A Q03164 3/20 0.49
USP2 O75604 1/20 0.48
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
TP53 P04637 1/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL28561073 0.91 KEAP1 (0.61) LMNAMAPTKEAP1NFE2L2ALDH1A1
SCHEMBL28575718 0.89 KEAP1 (0.61) MAPTKEAP1NFE2L2KMT2AMEN1
SCHEMBL6204399 0.79 KEAP1 (0.67) MAPTKEAP1NFE2L2HCRTR2KMT2A
SCHEMBL28567580 0.79 POLB (0.59) MAPTKEAP1NFE2L2ALDH1A1MAPK1
SCHEMBL699184 0.77 KEAP1 (0.88) KEAP1NFE2L2KMT2ACA12CA9
SCHEMBL14062173 0.76 ALDH1A1 (0.52) LMNAMAPTKEAP1NFE2L2ALDH1A1
SCHEMBL9819505 0.75 ALDH1A1 (0.55) LMNAKEAP1NFE2L2ALDH1A1MAPK1
SCHEMBL25347503 0.74 TP53 (0.76) LMNAMAPTALDH1A1KMT2ACA12
SCHEMBL7043992 0.74 KEAP1 (0.59) LMNAMAPTKEAP1NFE2L2ALDH1A1
SCHEMBL28575720 0.74 KEAP1 (0.62) LMNAMAPTKEAP1NFE2L2ALDH1A1

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-109336792-B Synthesis method of 4-methyl-N-phenyl-N- (2-phenylallyl) benzene sulfonamide compound 山东理工大学 2021-01-05 CN disclosed