SCHEMBL8577181

SCHEMBL8577181

O=C(NS(=O)(=O)c1ccccc1)c1c(-c2ccc3c(c2)OCO3)c2ccccc2n(Cc2ccc3c(c2)OCO3)c1=O

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.74
EDNRA P25101 6/20 0.61
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
USP2 O75604 1/20 0.49
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL6315734 0.86 EDNRB (1.00) EDNRBEDNRAMEN1KMT2AUSP2
SCHEMBL8805019 0.84 EDNRB (0.62) EDNRBEDNRAMAPTTP53
SCHEMBL6314851 0.78 EDNRB (0.75) EDNRBEDNRAMEN1KMT2AUSP2
SCHEMBL8798028 0.78 EDNRB (0.74) EDNRBEDNRAMEN1KMT2AUSP2
SCHEMBL6314775 0.77 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6315635 0.73 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6321016 0.71 EDNRB (0.77) EDNRBEDNRA
SCHEMBL7068846 0.71 ALDH1A1 (0.47) EDNRBEDNRAMEN1KMT2AUSP2
SCHEMBL8798982 0.70 EDNRB (0.78) EDNRBEDNRA
SCHEMBL17242043 0.69 MAPT (0.68) EDNRBEDNRAMEN1KMT2AUSP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731321-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed
EP-0757039-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-05 EP disclosed