SCHEMBL8327574

SCHEMBL8327574

COc1ccc(S(=O)(=O)Nc2ncnc(OCCO)c2Oc2ccccc2OC)cc1OCC(=O)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.62
EDNRB P24530 8/20 0.49
GAA P10253 1/20 0.47
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
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL8327271 0.93 EDNRA (0.63) EDNRAEDNRBGAAABCC3ABCC4
SCHEMBL8324724 0.92 EDNRA (0.65) EDNRAEDNRBGAAABCC3ABCC4
SCHEMBL8324487 0.91 EDNRA (0.61) EDNRAEDNRBLMNA
SCHEMBL8324391 0.91 EDNRA (0.60) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8324133 0.90 EDNRA (0.59) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8323252 0.89 EDNRA (0.59) EDNRAEDNRBGAAALDH1A1SMN1; SMN2
SCHEMBL8327386 0.88 EDNRA (0.48) EDNRAEDNRBGAAALDH1A1SMN1; SMN2
SCHEMBL8327899 0.88 EDNRA (0.62) EDNRAEDNRB
SCHEMBL8323258 0.88 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7302033 0.87 EDNRA (0.70) 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-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP disclosed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed