SCHEMBL6964772

SCHEMBL6964772

COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cc[n+]([O-])cc3)nc(OCCO)c2Oc2ccccc2OC)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.63
EDNRB P24530 12/20 0.58
DHPS P49366 2/20 0.58
ABCC3 O15438 1/20 0.58
ABCC4 O15439 1/20 0.58
NR1I2 O75469 1/20 0.58
ABCB11 O95342 1/20 0.58
NR1H3 Q13133 1/20 0.58
NR1I3 Q14994 1/20 0.58

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
SCHEMBL6970783 0.90 EDNRA (0.71) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6960620 0.89 EDNRA (0.69) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6961199 0.87 EDNRA (0.76) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6961425 0.85 EDNRA (0.71) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6966569 0.85 DHPS (0.47) EDNRAEDNRBDHPS
SCHEMBL7446708 0.85 EDNRA (0.58) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6969621 0.85 EDNRA (0.86) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6957138 0.84 EDNRA (0.60) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6960059 0.83 EDNRA (0.68) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6584905 0.83 EDNRA (0.69) EDNRAEDNRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP claimed
EP-0799209-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP claimed
WO-1996019459-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO claimed
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
US-6004965-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US disclosed