Sugi Predict

Sugi Predict / Compounds / SCHEMBL6974941

SCHEMBL6974941

SCHEMBL6974941

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(C(C)C)cn3)nc(-c3ccnc(-c4nnn[nH]4)c3)nc2OCCO)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 0.64
▸ EDNRB P24530 19/20 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
Tezosentan SCHEMBL29409604 0.89 EDNRA (0.80) EDNRAEDNRB
Tezosentan SCHEMBL4524 0.89 EDNRA (0.80) EDNRAEDNRB
Tezosentan SCHEMBL1230886 0.89 EDNRA (0.79) EDNRAEDNRB
Tezosentan SCHEMBL6963555 0.89 EDNRA (0.79) EDNRAEDNRB
Tezosentan SCHEMBL387772 0.89 EDNRA (0.79) EDNRAEDNRB
SCHEMBL6972701 0.86 EDNRA (0.60) EDNRAEDNRB
SCHEMBL6963227 0.85 EDNRA (0.58) EDNRAEDNRB
SCHEMBL6965313 0.84 EDNRA (0.49) EDNRAEDNRB
SCHEMBL6972165 0.82 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7503358 0.82 EDNRA (0.69) 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