SCHEMBL7004546

SCHEMBL7004546

CCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1.COc1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.63
NFE2L2 Q16236 3/20 0.63
MAPT P10636 5/20 0.59
MAPK1 P28482 3/20 0.59
GAA P10253 2/20 0.59
ALDH1A1 P00352 1/20 0.59
GFER P55789 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PKM P14618 1/20 0.51
PTPN1 P18031 2/20 0.51
PTPN2 P17706 1/20 0.51
PTPN6 P29350 1/20 0.51
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL7003143 0.90 KEAP1 (0.71) KEAP1NFE2L2MAPTALDH1A1LMNA
SCHEMBL7000752 0.84 KEAP1 (0.66) KEAP1NFE2L2MAPTMAPK1ALDH1A1
SCHEMBL7003241 0.79 KEAP1 (0.61) KEAP1NFE2L2MAPTALDH1A1CYP3A4
SCHEMBL7001895 0.77 KEAP1 (0.69) KEAP1NFE2L2MAPTALDH1A1CYP3A4
SCHEMBL21449455 0.76 KEAP1 (0.80) KEAP1NFE2L2ALDH1A1SMN1; SMN2LMNA
SCHEMBL21437247 0.76 KEAP1 (0.80) KEAP1NFE2L2ALDH1A1SMN1; SMN2LMNA
SCHEMBL22233711 0.75 KEAP1 (0.53) KEAP1NFE2L2MAPTALDH1A1
SCHEMBL11158903 0.75 ALDH1A1 (1.00) KEAP1NFE2L2MAPTMAPK1GAA
SCHEMBL1629060 0.74 KEAP1 (1.00) KEAP1NFE2L2
SCHEMBL6239949 0.74 HDAC1 (0.71) MAPTMAPK1GAAALDH1A1GFER

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154992-A4 N-SUBSTITUTED ARYLSULFONYLAMINO HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF C-PROTEINASE AND FOR TREATING OR PREVENTING DISORDERS RELATED TO UNREGULATED COLLAGEN PRODUCTION FIBROGEN INC (US) 2003-05-28 EP disclosed
EP-1154992-A1 N-SUBSTITUTED ARYLSULFONYLAMINO HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF C-PROTEINASE AND FOR TREATING OR PREVENTING DISORDERS RELATED TO UNREGULATED COLLAGEN PRODUCTION FIBROGEN, INC. (US) 2001-11-21 EP disclosed
WO-2000050390-A1 N-SUBSTITUTED ARYLSULFONYLAMINO HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF C-PROTEINASE AND FOR TREATING OR PREVENTING DISORDERS RELATED TO UNREGULATED COLLAGEN PRODUCTION FIBROGEN, INC. (US) 2000-08-31 WO disclosed