SCHEMBL7569494

SCHEMBL7569494

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc(C(=O)O)cc2OCCOC(=O)Nc2ccccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.56
EDNRB P24530 15/20 0.56
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7570365 0.95 EDNRA (0.56) EDNRAEDNRBKDM4EALDH1A1
SCHEMBL7565948 0.91 EDNRB (0.57) EDNRAEDNRB
SCHEMBL7568053 0.89 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7575456 0.86 EDNRA (0.58) EDNRAEDNRB
SCHEMBL7567616 0.85 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7566613 0.84 EDNRA (0.58) EDNRAEDNRBKDM4EALDH1A1
SCHEMBL7570825 0.84 EDNRB (0.62) EDNRAEDNRB
SCHEMBL8321995 0.84 EDNRA (0.65) EDNRAEDNRB
SCHEMBL7570867 0.84 EDNRA (0.67) EDNRAEDNRB
SCHEMBL7566513 0.83 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