SCHEMBL9038733

SCHEMBL9038733

Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncccn3)cc2CN(C)C(=O)CCc2ccccc2)c1C

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.82
EDNRA P25101 16/20 0.70

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
SCHEMBL6642249 0.90 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8697401 0.88 EDNRB (0.65) EDNRBEDNRA
SCHEMBL6638555 0.86 EDNRB (0.92) EDNRBEDNRA
SCHEMBL9039419 0.86 EDNRB (0.72) EDNRBEDNRA
SCHEMBL9038310 0.84 EDNRB (0.83) EDNRBEDNRA
SCHEMBL6639249 0.84 EDNRB (0.87) EDNRBEDNRA
SCHEMBL6640358 0.83 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8686074 0.81 EDNRA (0.81) EDNRBEDNRA
SCHEMBL7949154 0.80 EDNRA (0.70) EDNRBEDNRA
SCHEMBL6639342 0.80 EDNRB (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725067-A1 Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-07 EP claimed
EP-0725067-A1 Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-07 EP disclosed