SCHEMBL21834596

SCHEMBL21834596

COc1ccc(N(CCCN(C)C)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
MCOLN3 Q8TDD5 1/20 0.56
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
BDKRB1 P46663 3/20 0.46
KEAP1 Q14145 5/20 0.44
NFE2L2 Q16236 4/20 0.44
BDKRB2 P30411 1/20 0.44
GLA P06280 1/20 0.44
CAMK2A Q9UQM7 2/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
BMP1 P13497 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
CAMK2G Q13555 1/20 0.42

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
SCHEMBL21708237 0.90 POLB (0.52) POLBMCOLN3MAPTKMT2AMEN1
SCHEMBL21708314 0.84 POLB (0.55) POLBMCOLN3MAPTKMT2AMEN1
SCHEMBL21708288 0.82 POLB (0.51) POLBMCOLN3MAPTKMT2AMEN1
SCHEMBL21708227 0.81 KEAP1 (0.55) MAPTKEAP1NFE2L2BMP1
SCHEMBL21708217 0.81 POLB (0.47) POLBMCOLN3MAPTKMT2AMEN1
SCHEMBL21708308 0.81 POLB (0.51) POLBMCOLN3MAPTKMT2AMEN1
SCHEMBL21708215 0.80 POLB (0.53) POLBMCOLN3MAPTKMT2AMEN1
SCHEMBL21708291 0.79 POLB (0.48) POLBMCOLN3MAPTKMT2AMEN1
SCHEMBL10805165 0.78 POLB (0.68) POLBMCOLN3MAPTKMT2AMEN1
SCHEMBL21708313 0.77 KEAP1 (0.48) POLBKMT2AMEN1KEAP1NFE2L2

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
WO-2020067398-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST CELL INVASION OF FILOVIRUS 国立大学法人北海道大学 2020-04-02 WO disclosed