SCHEMBL8797162

SCHEMBL8797162

O=C(O)C1=C(Sc2ccc3c(c2)OCO3)c2cc3c(c(CC4=COCO4)c2S(=O)(=O)N1)OCO3

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.34
EDNRA P25101 3/20 0.34

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
SCHEMBL7068384 0.89 EDNRB (0.42) EDNRBEDNRA
SCHEMBL8799145 0.74 TARBP2 (0.31)
SCHEMBL7336011 0.66 SMN1; SMN2 (0.41)
SCHEMBL7344975 0.65 HSP90AA1 (0.38) EDNRBEDNRA
SCHEMBL7342903 0.62 SMN1; SMN2 (0.35)
SCHEMBL7339610 0.60 HSP90AA1 (0.36) EDNRBEDNRA
SCHEMBL7068381 0.58 EDNRB (0.51) EDNRBEDNRA
SCHEMBL7065613 0.56 MAPK1 (0.39) EDNRA
SCHEMBL30832960 0.56 CYP3A4 (0.52) EDNRBEDNRA
SCHEMBL7069619 0.56 EDNRA (0.43) EDNRBEDNRA

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-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-12-10 EP claimed