SCHEMBL8328877

SCHEMBL8328877

COc1ccc(Cl)c(Cc2c(Cl)nc(N3CCOCC3)nc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.63
EDNRB P24530 2/20 0.48
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CCR9 P51686 5/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL8326002 0.88 EDNRA (0.77) EDNRAEDNRBCCR9
SCHEMBL8328948 0.81 MAPT (0.52) KMT2AMEN1KDM4EGAAPIK3CA
SCHEMBL7006085 0.80 EDNRA (0.77) EDNRAEDNRBKMT2AMEN1CCR9
SCHEMBL9091404 0.80 EDNRA (0.58) EDNRAEDNRB
SCHEMBL7006427 0.80 EDNRA (0.81) EDNRAEDNRBKMT2AMEN1CCR9
SCHEMBL7009309 0.80 EDNRA (0.76) EDNRAEDNRBKMT2AMEN1CCR9
SCHEMBL7008931 0.79 EDNRA (0.74) EDNRAEDNRBKMT2AMEN1CCR9
SCHEMBL9157048 0.77 EDNRA (0.73) EDNRAEDNRBKMT2AMEN1KDM4E
SCHEMBL7013111 0.76 EDNRA (0.80) EDNRAEDNRBKMT2AMEN1
SCHEMBL6781031 0.76 EDNRA (0.71) 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 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