SCHEMBL7598398

SCHEMBL7598398

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(OC(=O)O)nc1OCCOC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.67
EDNRB P24530 15/20 0.67
ABCC3 O15438 1/20 0.63
ABCC4 O15439 1/20 0.63
NR1I2 O75469 1/20 0.63
ABCB11 O95342 1/20 0.63
DHPS P49366 1/20 0.63
NR1H3 Q13133 1/20 0.63
NR1I3 Q14994 1/20 0.63

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
SCHEMBL7598296 0.91 EDNRA (0.79) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8397142 0.90 EDNRA (0.70) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7602383 0.88 EDNRB (0.61) EDNRAEDNRB
SCHEMBL7597077 0.86 EDNRA (0.60) EDNRAEDNRB
SCHEMBL8399578 0.84 EDNRA (0.66) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7600949 0.83 EDNRA (0.79) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7582530 0.80 EDNRA (0.84) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL2722254 0.80 EDNRA (0.81) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7818379 0.80 EDNRA (0.76) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL2440965 0.80 EDNRA (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768304-B1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments HOFFMANN LA ROCHE (CH) 2002-05-22 EP disclosed
EP-0768304-A1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1997-04-16 EP disclosed