SCHEMBL7043992

SCHEMBL7043992

C=C(CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.59
NFE2L2 Q16236 3/20 0.59
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
PTGER1 P34995 1/20 0.53
PPARG P37231 1/20 0.52
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 2/20 0.49
THRB P10828 1/20 0.48
OXTR P30559 1/20 0.48

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
SCHEMBL5568657 0.84 NR1I2 (0.65) KEAP1NFE2L2KMT2AMEN1PTGER1
SCHEMBL699184 0.81 KEAP1 (0.88) KEAP1NFE2L2KMT2APPARG
SCHEMBL28575718 0.79 KEAP1 (0.61) KEAP1NFE2L2KMT2AMEN1PPARG
SCHEMBL28561073 0.79 KEAP1 (0.61) KEAP1NFE2L2KMT2AMEN1PPARG
SCHEMBL6204399 0.78 KEAP1 (0.67) KEAP1NFE2L2KMT2AMEN1PPARG
SCHEMBL14502622 0.77 KEAP1 (0.66) KEAP1NFE2L2KMT2AMEN1PPARG
SCHEMBL10953009 0.76 KEAP1 (0.56) KEAP1NFE2L2KMT2AMEN1PTGER1
SCHEMBL5286157 0.76 NR1I2 (0.76) KEAP1NFE2L2KMT2AMEN1MAPT
SCHEMBL28567580 0.75 POLB (0.59) KEAP1NFE2L2KMT2APPARGMAPT
SCHEMBL28564469 0.74 LMNA (0.54) KEAP1NFE2L2KMT2AMEN1PPARG

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
WO-2003010361-A2 NITROGEN ATOM TRANSFER YLEKTRA INC. (CA) 2003-02-06 WO claimed
WO-2003010361-A2 NITROGEN ATOM TRANSFER YLEKTRA INC. (CA) 2003-02-06 WO disclosed