Sugi Predict

Sugi Predict / Compounds / SCHEMBL7085973

SCHEMBL7085973

SCHEMBL7085973

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCN(C(=O)O)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 0.64
▸ EDNRB P24530 17/20 0.64

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
SCHEMBL7085443 0.93 EDNRA (0.65) EDNRAEDNRB
SCHEMBL7087224 0.93 EDNRA (0.54) EDNRAEDNRB
SCHEMBL6968460 0.92 EDNRA (0.55) EDNRAEDNRB
SCHEMBL6972398 0.91 EDNRA (0.51) EDNRAEDNRB
SCHEMBL31656331 0.90 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7085774 0.90 EDNRA (0.50) EDNRAEDNRB
Clazosentan SCHEMBL29379450 0.89 EDNRA (0.79) EDNRAEDNRB
Clazosentan SCHEMBL29581324 0.89 EDNRA (0.79) EDNRAEDNRB
Clazosentan SCHEMBL1983603 0.89 EDNRA (0.79) EDNRAEDNRB
Clazosentan SCHEMBL29581457 0.88 EDNRA (0.78) 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