Sugi Predict

Sugi Predict / Compounds / SCHEMBL8802029

SCHEMBL8802029

SCHEMBL8802029

Cc1ccc(-c2c(NS(=O)(=O)c3ccc(Br)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 6/20 0.84
▸ EDNRA P25101 5/20 0.79

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
SCHEMBL795650 0.92 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8804417 0.89 EDNRB (0.86) EDNRBEDNRA
SCHEMBL892538 0.89 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7482740 0.88 EDNRB (0.73) EDNRBEDNRA
SCHEMBL7206507 0.88 EDNRB (0.83) EDNRBEDNRA
SCHEMBL5032972 0.88 EDNRB (0.98) EDNRBEDNRA
SCHEMBL5097931 0.88 EDNRB (0.72) EDNRBEDNRA
SCHEMBL8660578 0.87 EDNRB (0.90) EDNRBEDNRA
SCHEMBL5497129 0.87 EDNRB (0.76) EDNRBEDNRA
SCHEMBL31266904 0.86 EDNRA (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658548-B1 Benzenesulfonamide derivative and process for preparing thereof TANABE SEIYAKU CO (JP) 1997-11-19 — — EP disclosed
US-5589478-A ENDOTHELIN ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 1996-12-31 — — US disclosed
EP-0658548-A1 Benzenesulfonamide derivative and process for preparing thereof TANABE SEIYAKU CO., LTD. (JP) 1995-06-21 — — EP disclosed