Sugi Predict

Sugi Predict / Compounds / SCHEMBL5204847

SCHEMBL5204847

SCHEMBL5204847

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccncc2)nc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 1.00
▸ EDNRB P24530 19/20 0.82

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
SCHEMBL7195290 0.91 EDNRA (0.83) EDNRAEDNRB
SCHEMBL5208403 0.90 EDNRA (0.82) EDNRAEDNRB
SCHEMBL7198515 0.90 EDNRA (0.82) EDNRAEDNRB
SCHEMBL7972658 0.90 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6790842 0.90 EDNRA (0.89) EDNRAEDNRB
SCHEMBL7991383 0.90 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7991425 0.90 EDNRA (0.81) EDNRAEDNRB
Avosentan SCHEMBL29379732 0.89 EDNRA (1.00) EDNRAEDNRB
Avosentan SCHEMBL2742679 0.89 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6785663 0.88 EDNRA (1.00) EDNRAEDNRB

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-1185525-B1 4-HETEROCYCLYLSULFONAMIDYL-6-METHOXY-5-(2-METHOXY-PHENOXY)-2-PYRIDYL-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-02-07 — — EP claimed
US-6521631-B2 N-(6-methoxy-5-(2-methoxy-phenoxy)-2-pyridin-4-yl-pyrimidin-4 -yl)) 5-isopropyl-pyridine-2-sulfonamide; treatment of disorders which are associated with abnormal vascular tone and endothelial dysfunction. HOFFMANN-LA ROCHE INC. 2003-02-18 — — US disclosed