SCHEMBL6546101

SCHEMBL6546101

COc1ccc(S(=O)(=O)N(C(=O)CN2CCOCC2)c2ccccc2C=Cc2cc[n+]([O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.68
KEAP1 Q14145 5/20 0.44
NFE2L2 Q16236 5/20 0.44
MMP3 P08254 2/20 0.43
BMP1 P13497 1/20 0.43
MMP1 P03956 3/20 0.42
MMP9 P14780 3/20 0.42
MMP13 P45452 3/20 0.42
ADAM17 P78536 2/20 0.42
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.40
MMP2 P08253 1/20 0.39
PTGS2 P35354 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL6546090 1.00 MET (0.68) METKEAP1NFE2L2MMP3BMP1
Hydrochloric Acid SCHEMBL5174064 0.99 MET (0.67) METKEAP1NFE2L2MMP3BMP1
Hydrochloric Acid SCHEMBL5174079 0.99 MET (0.67) METKEAP1NFE2L2MMP3BMP1
Hydrochloric Acid SCHEMBL5173974 0.92 MET (0.70) METKEAP1NFE2L2MMP3MMP1
Hydrochloric Acid SCHEMBL5173990 0.92 MET (0.70) METKEAP1NFE2L2MMP3MMP1
Hydrochloric Acid SCHEMBL5174656 0.91 MET (0.69) METKEAP1NFE2L2MMP3MMP1
Hydrochloric Acid SCHEMBL5174666 0.91 MET (0.69) METKEAP1NFE2L2MMP3MMP1
Hydrochloric Acid SCHEMBL5174135 0.90 MET (0.68) METKEAP1NFE2L2MMP3BMP1
Hydrochloric Acid SCHEMBL5174131 0.90 MET (0.68) METKEAP1NFE2L2MMP3BMP1
Hydrochloric Acid SCHEMBL6782085 0.89 MET (0.61) METKEAP1NFE2L2MMP3BMP1

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
EP-1382335-A1 MEDICINES Nippon Shinyaku Co., Ltd. (JP) 2004-01-21 EP claimed