SCHEMBL625497

SCHEMBL625497

CCCCN(c1nc(-c2ncccn2)nc(OCCC(C)(C)C)c1Oc1ccccc1OC)S(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.49
EDNRB P24530 10/20 0.47
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
SCHEMBL1723226 0.90 EDNRA (0.61) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7428350 0.86 EDNRA (0.53) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL3417935 0.84 EDNRA (0.46) EDNRAEDNRBNR1I2
SCHEMBL622948 0.84 MEN1 (0.45) EDNRAEDNRBDHPS
SCHEMBL7329858 0.78 EDNRA (0.62) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7429594 0.77 EDNRA (0.53) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL9275779 0.77 EDNRA (0.64) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL27405903 0.76 EDNRA (0.40) EDNRAEDNRB
SCHEMBL7819735 0.75 EDNRA (0.49) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL20450343 0.74 EDNRA (0.60) 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-2603497-A1 A NOVEL PROCESS FOR PREPARATION OF BOSENTAN Megafine Pharma (P) Ltd. (IN) 2013-06-19 EP disclosed
WO-2012020421-A1 A NOVEL PROCESS FOR PREPARATION OF BOSENTAN MEGAFINE PHARMA (P) LTD. (IN) 2012-02-16 WO disclosed