SCHEMBL7445575

SCHEMBL7445575

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)nc(-c3cc[nH]c(=O)c3)nc2OCCO)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.66
EDNRB P24530 10/20 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
DHPS P49366 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
SCHEMBL15218752 0.91 EDNRA (0.72) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6956122 0.87 EDNRA (0.68) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6957198 0.87 EDNRA (0.66) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7592200 0.86 EDNRA (0.67) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7305595 0.86 EDNRA (0.74) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8327615 0.85 EDNRA (0.72) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL795564 0.84 EDNRA (0.71) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6972701 0.84 EDNRA (0.60) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7600932 0.83 EDNRA (0.70) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8321011 0.83 EDNRA (0.76) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019459-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed