SCHEMBL8326059

SCHEMBL8326059

C=Cc1ccc(S(=O)(=O)Nc2nc(-c3ncccn3)nc(Cl)c2Oc2ccccc2OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.64
EDNRB P24530 5/20 0.61
ABCC3 O15438 1/20 0.55
ABCC4 O15439 1/20 0.55
NR1I2 O75469 1/20 0.55
ABCB11 O95342 1/20 0.55
DHPS P49366 1/20 0.55
NR1H3 Q13133 1/20 0.55
NR1I3 Q14994 1/20 0.55

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
SCHEMBL1259727 0.89 EDNRA (0.69) EDNRAEDNRB
SCHEMBL16900663 0.89 EDNRA (0.70) EDNRAEDNRB
SCHEMBL1258645 0.87 EDNRA (0.62) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL29770411 0.86 EDNRA (0.72) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8324802 0.86 EDNRA (0.58) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL617288 0.86 EDNRA (0.72) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8328060 0.85 EDNRA (0.63) EDNRA
SCHEMBL5686011 0.85 EDNRA (0.71) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL625550 0.85 EDNRA (0.71) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8323551 0.84 EDNRA (0.82) EDNRAEDNRBABCC3ABCC4NR1I2

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