SCHEMBL7017153

SCHEMBL7017153

COc1ccc(Cl)c(Oc2c(O)nc(C)nc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.57
EDNRB P24530 11/20 0.52
CCR9 P51686 2/20 0.43

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
SCHEMBL7293947 0.91 EDNRA (0.56) EDNRAEDNRBCCR9
SCHEMBL9156436 0.90 EDNRA (0.59) EDNRAEDNRB
SCHEMBL7305595 0.86 EDNRA (0.74) EDNRAEDNRB
SCHEMBL8397140 0.83 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7947634 0.82 EDNRA (0.63) EDNRAEDNRB
SCHEMBL7332503 0.82 EDNRA (0.57) EDNRAEDNRBCCR9
SCHEMBL7006412 0.81 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7948180 0.81 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7946205 0.81 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7007652 0.81 EDNRA (0.60) 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-0601386-B1 Sulphonamides HOFFMANN LA ROCHE (CH) 2003-02-05 EP claimed
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