SCHEMBL8324546

SCHEMBL8324546

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(OC)c(OCC(=O)N4CCOCC4)c3)ncnc2OCCOC(=O)Nc2cnccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 16/20 0.47
EDNRB P24530 15/20 0.46
EPHA2 P29317 1/20 0.40
KDR P35968 1/20 0.40
EPHB4 P54760 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL8323785 0.94 EDNRA (0.51) EDNRAEDNRBLMNA
SCHEMBL8327010 0.93 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8323818 0.92 EDNRA (0.48) EDNRAEDNRBEPHA2KDREPHB4
SCHEMBL8323019 0.92 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8323894 0.88 EDNRA (0.47) EDNRAEDNRBEPHA2KDREPHB4
SCHEMBL8323252 0.88 EDNRA (0.59) EDNRAEDNRBEPHA2KDREPHB4
SCHEMBL8327017 0.87 EDNRA (0.55) EDNRAEDNRBLMNA
SCHEMBL8327899 0.85 EDNRA (0.62) EDNRAEDNRB
SCHEMBL8326887 0.85 EDNRA (0.52) EDNRAEDNRB
SCHEMBL8323904 0.84 EDNRA (0.47) EDNRAEDNRBEPHA2KDREPHB4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP claimed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed