SCHEMBL7087224

SCHEMBL7087224

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cc2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCN(C(=O)O)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.54
EDNRB P24530 11/20 0.54
ABCC3 O15438 1/20 0.47
ABCC4 O15439 1/20 0.47
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
DHPS P49366 1/20 0.47
NR1H3 Q13133 1/20 0.47
NR1I3 Q14994 1/20 0.47

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
SCHEMBL6968460 0.96 EDNRA (0.55) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6972398 0.95 EDNRA (0.51) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7086528 0.94 EDNRA (0.49) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6965528 0.94 EDNRA (0.60) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7085973 0.93 EDNRA (0.64) EDNRAEDNRB
SCHEMBL7085774 0.92 EDNRA (0.50) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6972166 0.90 EDNRA (0.48) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6959738 0.89 EDNRA (0.67) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7085443 0.88 EDNRA (0.65) EDNRAEDNRB
SCHEMBL6956778 0.88 EDNRA (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP claimed