SCHEMBL6924548

SCHEMBL6924548

CCCN(c1ccccc1)S(=O)(=O)Nc1nc(-c2ccncc2)nc(OCCO)c1Oc1ccccc1OC

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.59
EDNRB P24530 14/20 0.59
DHPS P49366 2/20 0.54
ABCC3 O15438 1/20 0.54
ABCC4 O15439 1/20 0.54
NR1I2 O75469 1/20 0.54
ABCB11 O95342 1/20 0.54
NR1H3 Q13133 1/20 0.54
NR1I3 Q14994 1/20 0.54

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
SCHEMBL4059929 0.82 EDNRA (0.70) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6924546 0.79 EDNRA (0.59) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6974318 0.79 EDNRA (0.89) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL5653426 0.78 EDNRA (0.71) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL4062095 0.78 EDNRA (0.64) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL25637066 0.78 EDNRA (0.84) EDNRAEDNRB
SCHEMBL14289226 0.78 EDNRA (0.84) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL5631093 0.77 EDNRA (0.64) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7298083 0.74 EDNRA (1.00) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL13281278 0.74 EDNRA (1.00) EDNRAEDNRBDHPSABCC3ABCC4

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-1345920-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-09-24 EP disclosed
WO-2002053557-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-07-11 WO disclosed