SCHEMBL6542556

SCHEMBL6542556

O=C(O)OC1=C(O)c2ccccc2S(=O)(=O)N1c1cc2c(cc1Cl)OCO2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.37
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
HSP90AA1 P07900 2/20 0.33
PTGES O14684 1/20 0.33
PAX8 Q06710 1/20 0.33
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD11B1 P28845 1/20 0.32
HCRTR2 O43614 1/20 0.32
XBP1 P17861 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL6541959 0.88 EDNRA (0.40) EDNRAALDH1A1L3MBTL1HTTNPC1
SCHEMBL6541343 0.87 EDNRA (0.36) EDNRAALDH1A1L3MBTL1HTTKDM4E
SCHEMBL6542549 0.84 EDNRA (0.46) EDNRAALDH1A1L3MBTL1HTTKDM4E
SCHEMBL6541894 0.81 ELANE (0.38) RAB9AHSP90AA1PTGESPAX8LMNA
SCHEMBL6542734 0.79 EDNRA (0.40) EDNRAALDH1A1L3MBTL1HTTPTGES
SCHEMBL6541543 0.78 LMNA (0.52) ALDH1A1L3MBTL1HTTKDM4EHSD17B10
SCHEMBL6541388 0.78 EDNRA (0.43) EDNRAALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL6542684 0.76 EDNRA (0.42) EDNRAALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL6542717 0.76 EDNRA (0.38) EDNRAALDH1A1L3MBTL1HTTNPC1
SCHEMBL6542600 0.75 EDNRA (0.44) EDNRAALDH1A1L3MBTL1HTTKDM4E

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-1009743-B1 CERTAIN BENZOTHIAZINE DIOXIDE ENDOTHELIN ANTAGONISTS AND PROCESSES FOR THEIR PREPARATION WARNER LAMBERT CO (US) 2004-06-30 EP claimed