SCHEMBL7006905

SCHEMBL7006905

COc1ccc(Cl)c(Oc2c(COC[C@H](O)CO)nc(N3CCOCC3)nc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.70
EDNRB P24530 8/20 0.52
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
CCR9 P51686 1/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL7008278 1.00 EDNRA (0.70) EDNRAEDNRBKMT2AALDH1A1LMNA
SCHEMBL7006902 1.00 EDNRA (0.70) EDNRAEDNRBKMT2AALDH1A1LMNA
SCHEMBL7006380 0.95 EDNRA (0.65) EDNRAEDNRB
SCHEMBL7013111 0.91 EDNRA (0.80) EDNRAEDNRBKMT2AMEN1
SCHEMBL7006427 0.90 EDNRA (0.81) EDNRAEDNRBKMT2AMEN1CCR9
SCHEMBL7009309 0.87 EDNRA (0.76) EDNRAEDNRBKMT2AMEN1CCR9
SCHEMBL9157048 0.86 EDNRA (0.73) EDNRAEDNRBKMT2ALMNAMEN1
SCHEMBL9152177 0.84 EDNRA (0.72) EDNRAEDNRBKMT2ALMNAMEN1
SCHEMBL7014774 0.84 EDNRA (0.53) EDNRAEDNRB
SCHEMBL7008565 0.84 EDNRA (0.53) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601386-B1 Sulphonamides HOFFMANN LA ROCHE (CH) 2003-02-05 EP claimed
EP-0601386-A1 Sulphonamides F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP claimed
EP-0601386-B1 Sulphonamides HOFFMANN LA ROCHE (CH) 2003-02-05 EP disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
US-5420129-A Treatment of hypertension, ischemia, vasospasms, angina HOFFMANN-LA ROCHE INC. (US) 1995-05-30 US disclosed
EP-0601386-A1 Sulphonamides F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP disclosed