SCHEMBL7828476

SCHEMBL7828476

COc1cc(CN2C(OC(=O)O)=C(Sc3ccc4c(c3)OCO4)c3ccccc3S2(=O)=O)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 10/20 0.43
EDNRA P25101 10/20 0.43
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HCRTR2 O43614 1/20 0.39
KMT2A Q03164 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
SCHEMBL7828049 0.93 EDNRB (0.48) EDNRBEDNRAALDH1A1L3MBTL1MAPK1
SCHEMBL7815810 0.92 EDNRB (0.52) EDNRBEDNRAALDH1A1L3MBTL1MAPK1
SCHEMBL7824960 0.89 EDNRB (0.52) EDNRBEDNRAALDH1A1L3MBTL1HTT
SCHEMBL7823695 0.89 EDNRB (0.43) EDNRBEDNRAALDH1A1L3MBTL1MAPK1
SCHEMBL7069871 0.89 EDNRB (0.46) EDNRBEDNRAALDH1A1L3MBTL1POLB
SCHEMBL7817828 0.86 ALDH1A1 (0.47) EDNRBEDNRAALDH1A1L3MBTL1POLB
SCHEMBL7828200 0.86 ALDH1A1 (0.47) EDNRBEDNRAALDH1A1L3MBTL1POLB
SCHEMBL7817363 0.85 EDNRA (0.46) EDNRBEDNRAALDH1A1L3MBTL1POLB
SCHEMBL7829746 0.84 EDNRB (0.54) EDNRBEDNRAALDH1A1L3MBTL1POLB
SCHEMBL7828613 0.84 EDNRB (0.52) EDNRBEDNRAALDH1A1TDP1HCRTR2

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