SCHEMBL8324405

SCHEMBL8324405

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc3c(c2)OCO3)nc(-c2ccccc2)nc1OCCOC(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.53
EDNRB P24530 16/20 0.49
ABCC3 O15438 1/20 0.46
ABCC4 O15439 1/20 0.46
NR1I2 O75469 1/20 0.46
ABCB11 O95342 1/20 0.46
DHPS P49366 1/20 0.46
NR1H3 Q13133 1/20 0.46
NR1I3 Q14994 1/20 0.46

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
SCHEMBL8326949 0.93 EDNRA (0.53) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9091720 0.93 EDNRA (0.53) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9093139 0.93 EDNRA (0.51) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8323646 0.93 EDNRA (0.51) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8322016 0.83 EDNRA (0.67) EDNRAEDNRB
SCHEMBL8319919 0.83 EDNRA (0.70) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8326608 0.79 EDNRA (0.64) EDNRAEDNRB
SCHEMBL8322614 0.78 EDNRA (0.63) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9092020 0.78 EDNRA (0.65) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9092164 0.78 EDNRA (0.63) 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 3 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 disclosed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed