SCHEMBL7828049

SCHEMBL7828049

COc1cc(CN2C(OC(=O)O)=C(Sc3ccc4c(c3)OCO4)c3ccccc3S2(=O)=O)cc2c1OCO2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.48
EDNRA P25101 12/20 0.48
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HCRTR2 O43614 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR7 P34969 1/20 0.40
ABCB1 P08183 1/20 0.39

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
SCHEMBL7828476 0.93 EDNRB (0.43) EDNRBEDNRAALDH1A1L3MBTL1MAPK1
SCHEMBL7065702 0.90 EDNRB (0.51) EDNRBEDNRAALDH1A1L3MBTL1LMNA
SCHEMBL7824960 0.90 EDNRB (0.52) EDNRBEDNRAALDH1A1L3MBTL1LMNA
SCHEMBL7823695 0.88 EDNRB (0.43) EDNRBEDNRAALDH1A1L3MBTL1MAPK1
SCHEMBL7828200 0.87 ALDH1A1 (0.47) EDNRBEDNRAALDH1A1L3MBTL1LMNA
SCHEMBL7817828 0.87 ALDH1A1 (0.47) EDNRBEDNRAALDH1A1L3MBTL1LMNA
SCHEMBL7815810 0.87 EDNRB (0.52) EDNRBEDNRAALDH1A1L3MBTL1LMNA
SCHEMBL7829746 0.85 EDNRB (0.54) EDNRBEDNRAALDH1A1L3MBTL1HTT
SCHEMBL7831152 0.85 EDNRB (0.45) EDNRBEDNRAALDH1A1L3MBTL1LMNA
SCHEMBL7828613 0.85 EDNRB (0.52) EDNRBEDNRAALDH1A1LMNAHCRTR2

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-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP claimed