SCHEMBL6963732

SCHEMBL6963732

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc3c(c2)OCO3)nc(-c2cc[n+]([O-])cc2)nc1OCCO

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.61
EDNRB P24530 10/20 0.57
ABCC3 O15438 1/20 0.57
ABCC4 O15439 1/20 0.57
NR1I2 O75469 1/20 0.57
ABCB11 O95342 1/20 0.57
DHPS P49366 1/20 0.57
NR1H3 Q13133 1/20 0.57
NR1I3 Q14994 1/20 0.57

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
SCHEMBL8319919 0.93 EDNRA (0.70) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8322614 0.91 EDNRA (0.63) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6960620 0.89 EDNRA (0.69) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6961199 0.88 EDNRA (0.76) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6961032 0.86 MAPT (0.44) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6970783 0.86 EDNRA (0.71) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6961425 0.86 EDNRA (0.71) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6961021 0.86 EDNRA (0.58) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6969621 0.84 EDNRA (0.86) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6960059 0.84 EDNRA (0.68) EDNRAEDNRBABCC3ABCC4NR1I2

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 3 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-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP disclosed
US-6004965-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US disclosed