Sugi Predict

Sugi Predict / Compounds / SCHEMBL7084837

SCHEMBL7084837

SCHEMBL7084837

COc1ccccc1Oc1c(NS(=O)(=O)c2cccnc2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCN(C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 0.47
▸ EDNRB P24530 15/20 0.47

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
SCHEMBL6967820 0.94 EDNRA (0.48) EDNRAEDNRB
SCHEMBL6969681 0.92 EDNRA (0.48) EDNRAEDNRB
SCHEMBL6956778 0.92 EDNRA (0.51) EDNRAEDNRB
SCHEMBL7084507 0.89 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7085774 0.88 EDNRA (0.50) EDNRAEDNRB
SCHEMBL6972166 0.88 EDNRA (0.48) EDNRAEDNRB
SCHEMBL6973454 0.88 EDNRA (0.49) EDNRAEDNRB
SCHEMBL6960742 0.86 EDNRA (0.61) EDNRAEDNRB
SCHEMBL6965095 0.85 EDNRA (0.57) EDNRAEDNRB
SCHEMBL6968460 0.83 EDNRA (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 — — EP claimed