SCHEMBL7566698

SCHEMBL7566698

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc(C(=O)Nc3ccccc3)cc2OCCO)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.65
EDNRA P25101 5/20 0.57
AVPR2 P30518 3/20 0.46
GPR27 Q9NS67 3/20 0.46
SLC20A2 Q08357 1/20 0.44
SLC20A1 Q8WUM9 1/20 0.44
LMNA P02545 5/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
RAB9A P51151 1/20 0.42
HTT P42858 2/20 0.42
IDH2 P48735 1/20 0.42
KDM4E B2RXH2 2/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL7567454 0.94 EDNRB (0.65) EDNRBEDNRAAVPR2GPR27LMNA
SCHEMBL7567753 0.93 EDNRB (0.71) EDNRBEDNRAAVPR2GPR27LMNA
SCHEMBL7567944 0.90 EDNRA (0.58) EDNRBEDNRALMNAALDH1A1KDM4E
SCHEMBL7566622 0.89 EDNRA (0.58) EDNRBEDNRALMNAALDH1A1NPSR1
SCHEMBL7567648 0.85 EDNRB (0.60) EDNRBEDNRAAVPR2GPR27LMNA
SCHEMBL7566613 0.83 EDNRA (0.58) EDNRBEDNRALMNAALDH1A1KDM4E
SCHEMBL7567752 0.83 EDNRB (0.87) EDNRBEDNRAAVPR2GPR27LMNA
SCHEMBL7566496 0.83 EDNRB (0.55) EDNRBEDNRALMNAMAPTSMN1; SMN2
SCHEMBL7568480 0.83 EDNRB (0.81) EDNRBEDNRATHRB
SCHEMBL7567986 0.82 EDNRA (0.71) EDNRBEDNRALMNAMAPTSMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed
US-5962682-A Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN-LA ROCHE INC. (US) 1999-10-05 US claimed
JP-2930731-B2 1999-08-03 JP claimed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP claimed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO claimed
EP-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
US-6133442-A FOR THE TREATMENT OF DISORDERS WHICH ARE ASSOCIATED WITH ENDOTHELIN ACTIVITIES, ESPECIALLY CIRCULATORY DISORDERS SUCH AS HYPERTENSION, ISCHAEMIA, VASOSPASMS AND ANGINA PECTORIS HOFFMANN-LA ROCHE INC. (US) 2000-10-17 US disclosed
US-5962682-A Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN-LA ROCHE INC. (US) 1999-10-05 US disclosed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed