SCHEMBL8324724

SCHEMBL8324724

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)ncnc1OCCO

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.65
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.52
EDNRB P24530 7/20 0.52
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ABCC3 O15438 1/20 0.49
ABCC4 O15439 1/20 0.49
NR1I2 O75469 1/20 0.49
ABCB11 O95342 1/20 0.49
DHPS P49366 1/20 0.49
NR1H3 Q13133 1/20 0.49
NR1I3 Q14994 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL8327574 0.92 EDNRA (0.62) EDNRALMNAGAAEDNRBALDH1A1
SCHEMBL8328969 0.89 EDNRA (0.64) EDNRAEDNRBALDH1A1ABCC3ABCC4
SCHEMBL8320816 0.88 EDNRA (0.64) EDNRALMNAGAAEDNRBALDH1A1
SCHEMBL8327835 0.88 EDNRA (0.65) EDNRALMNAEDNRB
SCHEMBL8325623 0.88 EDNRA (0.58) EDNRALMNAGAAEDNRBALDH1A1
SCHEMBL8324391 0.87 EDNRA (0.60) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8324133 0.86 EDNRA (0.59) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8324941 0.85 EDNRA (0.56) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8327271 0.85 EDNRA (0.63) EDNRAGAAEDNRBALDH1A1ABCC3
SCHEMBL8324487 0.84 EDNRA (0.61) EDNRALMNAEDNRB

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