Sugi Predict

Sugi Predict / Compounds / SCHEMBL6972150

SCHEMBL6972150

SCHEMBL6972150

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCOC(=O)Nc1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 0.60
▸ EDNRB P24530 19/20 0.60

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
SCHEMBL6961007 0.91 EDNRA (0.48) EDNRAEDNRB
SCHEMBL6973454 0.90 EDNRA (0.49) EDNRAEDNRB
SCHEMBL6973946 0.89 EDNRA (0.48) EDNRAEDNRB
SCHEMBL6963039 0.89 EDNRA (0.50) EDNRAEDNRB
SCHEMBL6968227 0.88 EDNRA (0.76) EDNRAEDNRB
SCHEMBL7084507 0.88 EDNRA (0.60) EDNRAEDNRB
Tezosentan SCHEMBL4524 0.85 EDNRA (0.80) EDNRAEDNRB
Tezosentan SCHEMBL29409604 0.85 EDNRA (0.80) EDNRAEDNRB
Tezosentan SCHEMBL6963555 0.85 EDNRA (0.79) EDNRAEDNRB
Tezosentan SCHEMBL387772 0.85 EDNRA (0.79) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 — — EP claimed
US-6004965-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-12-21 — — US claimed
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 — — EP disclosed
US-6004965-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-12-21 — — US disclosed