SCHEMBL7568095

SCHEMBL7568095

COc1cccc(Oc2c(NS(=O)(=O)c3ccc(SC)cc3)cc(C(=O)Nc3ccccc3)cc2OCC(O)CO)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.81
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 3/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 6/20 0.42
LMNA P02545 4/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
JAK2 O60674 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
MMP2 P08253 1/20 0.40
PGR P06401 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7569202 0.93 EDNRB (0.70) EDNRBSMN1; SMN2HPGDPOLBTHRB
SCHEMBL7567507 0.91 EDNRB (0.66) EDNRBSMN1; SMN2HPGDPOLBALDH1A1
SCHEMBL7568255 0.90 EDNRB (0.65) EDNRBSMN1; SMN2HPGDPOLBTHRB
SCHEMBL7565899 0.90 EDNRB (1.00) EDNRBSMN1; SMN2HPGDPOLBTHRB
SCHEMBL7572798 0.90 EDNRB (0.64) EDNRBSMN1; SMN2HPGDPOLBALDH1A1
SCHEMBL7946308 0.86 EDNRB (0.85) EDNRBSMN1; SMN2HPGDPOLBTHRB
SCHEMBL7570795 0.85 EDNRB (0.59) EDNRBSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL8045720 0.84 EDNRB (0.81) EDNRBSMN1; SMN2HPGDPOLBTHRB
SCHEMBL7566571 0.84 EDNRB (0.56) EDNRBSMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL7568104 0.83 EDNRB (0.57) EDNRBSMN1; SMN2HPGDPOLBALDH1A1

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