Sugi Predict

Sugi Predict / Compounds / SCHEMBL6973946

SCHEMBL6973946

SCHEMBL6973946

COc1ccc(S(=O)(=O)Nc2nc(-c3ccnc(-c4nnn[nH]4)c3)nc(OCCOC(=O)Nc3ccc4c(c3)OCO4)c2Oc2ccccc2OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 0.48
▸ EDNRB P24530 18/20 0.48

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 0.96 EDNRA (0.48) EDNRAEDNRB
SCHEMBL6963039 0.96 EDNRA (0.50) EDNRAEDNRB
SCHEMBL6973454 0.93 EDNRA (0.49) EDNRAEDNRB
SCHEMBL6966678 0.90 EDNRB (0.57) EDNRAEDNRB
SCHEMBL6972150 0.89 EDNRA (0.60) EDNRAEDNRB
SCHEMBL6969681 0.87 EDNRA (0.48) EDNRAEDNRB
SCHEMBL6965095 0.87 EDNRA (0.57) EDNRAEDNRB
SCHEMBL6965740 0.85 EDNRA (0.48) EDNRAEDNRB
SCHEMBL6962526 0.85 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7948246 0.84 EDNRA (0.53) 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