SCHEMBL7945356

SCHEMBL7945356

CCCCc1ccc(S(=O)(=O)Nc2nc(I)nc(OCCO)c2Oc2ccccc2OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.61
EDNRB P24530 9/20 0.61
ABCC3 O15438 1/20 0.59
ABCC4 O15439 1/20 0.59
NR1I2 O75469 1/20 0.59
ABCB11 O95342 1/20 0.59
DHPS P49366 1/20 0.59
NR1H3 Q13133 1/20 0.59
NR1I3 Q14994 1/20 0.59

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
SCHEMBL6865530 0.89 EDNRA (0.80) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7292885 0.79 EDNRA (0.80) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7302749 0.79 EDNRA (0.75) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7297035 0.79 EDNRA (0.83) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7293917 0.77 EDNRA (0.80) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7299313 0.77 EDNRA (0.82) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL13281278 0.76 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL12238205 0.76 EDNRA (0.81) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL1723227 0.76 EDNRA (0.73) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8326901 0.76 EDNRA (0.84) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010012637-A1 PROCESS FOR THE PREPARATION OF BOSENTAN INKE, S.A. (ES) 2010-02-04 WO disclosed