SCHEMBL7828613

SCHEMBL7828613

COc1cc2c(cc1OC)S(=O)(=O)N(Cc1ccc3c(c1)OCO3)C(OC(=O)O)=C2Sc1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 15/20 0.52
EDNRA P25101 15/20 0.52
HCRTR2 O43614 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7824960 0.89 EDNRB (0.52) EDNRBEDNRAHCRTR2SMN1; SMN2ALDH1A1
SCHEMBL7070841 0.88 EDNRB (0.56) EDNRBEDNRAHCRTR2SMN1; SMN2TDP1
SCHEMBL7828049 0.85 EDNRB (0.48) EDNRBEDNRAHCRTR2ALDH1A1LMNA
SCHEMBL7828200 0.84 ALDH1A1 (0.47) EDNRBEDNRAHCRTR2SMN1; SMN2ALDH1A1
SCHEMBL7817828 0.84 ALDH1A1 (0.47) EDNRBEDNRAHCRTR2SMN1; SMN2ALDH1A1
SCHEMBL7828476 0.84 EDNRB (0.43) EDNRBEDNRAHCRTR2ALDH1A1TDP1
SCHEMBL7815810 0.84 EDNRB (0.52) EDNRBEDNRAHCRTR2SMN1; SMN2ALDH1A1
SCHEMBL7824092 0.84 EDNRB (0.48) EDNRBEDNRAHCRTR2SMN1; SMN2ALDH1A1
SCHEMBL7832535 0.84 EDNRA (0.42) EDNRBEDNRAHCRTR2SMN1; SMN2ALDH1A1
SCHEMBL7823695 0.84 EDNRB (0.43) EDNRBEDNRAALDH1A1

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