SCHEMBL7446708

SCHEMBL7446708

COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cc[nH]c(=O)c3)nc(OCCO)c2Oc2ccccc2OC)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.58
EDNRB P24530 12/20 0.55
DHPS P49366 2/20 0.55
ABCC3 O15438 1/20 0.55
ABCC4 O15439 1/20 0.55
NR1I2 O75469 1/20 0.55
ABCB11 O95342 1/20 0.55
NR1H3 Q13133 1/20 0.55
NR1I3 Q14994 1/20 0.55

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
SCHEMBL7446457 0.89 EDNRA (0.65) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6964772 0.85 EDNRA (0.63) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6957138 0.85 EDNRA (0.60) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7440264 0.84 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7435840 0.83 EDNRA (0.72) EDNRAEDNRB
SCHEMBL6960945 0.82 EDNRA (0.60) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7445575 0.80 EDNRA (0.66) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7882778 0.76 EDNRA (0.59) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6960823 0.76 EDNRA (0.67) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6960620 0.75 EDNRA (0.69) 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-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