Sugi Predict

Sugi Predict / Compounds / SCHEMBL7573722

SCHEMBL7573722

SCHEMBL7573722

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc3c(c2)OCO3)cc(C(=O)N2CCN(C(=O)O)CC2)cc1OCCOC(=O)Nc1ccccn1

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
SCHEMBL7568711 0.94 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7568468 0.94 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7567694 0.92 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7568992 0.91 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7569211 0.90 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7572904 0.88 EDNRA (0.66) EDNRAEDNRB
SCHEMBL7568242 0.87 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7568685 0.86 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7566670 0.84 EDNRA (0.65) EDNRAEDNRB
SCHEMBL7567802 0.84 EDNRA (0.65) 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-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 — — EP claimed