SCHEMBL7824960

SCHEMBL7824960

COc1ccc(SC2=C(OC(=O)O)N(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccccc32)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 13/20 0.52
EDNRA P25101 13/20 0.52
HCRTR2 O43614 1/20 0.47
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 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
SCHEMBL7815810 0.92 EDNRB (0.52) EDNRBEDNRAHCRTR2ALDH1A1HTT
SCHEMBL7828049 0.90 EDNRB (0.48) EDNRBEDNRAHCRTR2ALDH1A1HTT
SCHEMBL7817828 0.90 ALDH1A1 (0.47) EDNRBEDNRAHCRTR2ALDH1A1HTT
SCHEMBL7828200 0.90 ALDH1A1 (0.47) EDNRBEDNRAHCRTR2ALDH1A1HTT
SCHEMBL7829746 0.89 EDNRB (0.54) EDNRBEDNRAALDH1A1HTTL3MBTL1
SCHEMBL7828476 0.89 EDNRB (0.43) EDNRBEDNRAHCRTR2ALDH1A1HTT
SCHEMBL7823695 0.89 EDNRB (0.43) EDNRBEDNRAALDH1A1HTTL3MBTL1
SCHEMBL7065375 0.89 EDNRB (0.55) EDNRBEDNRAHCRTR2ALDH1A1HTT
SCHEMBL7828613 0.89 EDNRB (0.52) EDNRBEDNRAHCRTR2ALDH1A1LMNA
SCHEMBL7824686 0.87 ALDH1A1 (0.44) EDNRBEDNRAHCRTR2ALDH1A1HTT

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