SCHEMBL8324941

SCHEMBL8324941

COc1ccc(S(=O)(=O)Nc2ncnc(OCCO)c2Oc2ccccc2OC)c(CCC(=O)N2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 12/20 0.56
EDNRB P24530 7/20 0.49
ABCC3 O15438 1/20 0.42
ABCC4 O15439 1/20 0.42
NR1I2 O75469 1/20 0.42
ABCB11 O95342 1/20 0.42
DHPS P49366 1/20 0.42
NR1H3 Q13133 1/20 0.42
NR1I3 Q14994 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
SCHEMBL8324133 0.89 EDNRA (0.59) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8327362 0.89 EDNRA (0.58) EDNRAEDNRB
SCHEMBL8328969 0.86 EDNRA (0.64) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8324724 0.85 EDNRA (0.65) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8322054 0.84 EDNRA (0.57) EDNRAEDNRB
SCHEMBL8324391 0.83 EDNRA (0.60) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8327574 0.83 EDNRA (0.62) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8321186 0.82 EDNRA (0.60) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8324693 0.81 EDNRA (0.61) EDNRAEDNRB
SCHEMBL8324487 0.79 EDNRA (0.61) 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