SCHEMBL7568663

SCHEMBL7568663

COC(=O)c1cc(NS(=O)(=O)c2ccc(SC)cc2)c(Oc2ccccc2OC)c(OCCOC2CCCCO2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.48
EDNRA P25101 10/20 0.45
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
JAK2 O60674 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 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
SCHEMBL7568975 0.92 EDNRA (0.47) EDNRBEDNRAALDH1A1LMNACYP2C9
SCHEMBL7565796 0.92 EDNRA (0.47) EDNRBEDNRAALDH1A1LMNAGAA
SCHEMBL7568989 0.91 EDNRA (0.56) EDNRBEDNRA
SCHEMBL7574315 0.90 EDNRB (0.59) EDNRBEDNRAALDH1A1LMNAGAA
SCHEMBL7570847 0.88 ALDH1A1 (0.43) EDNRAALDH1A1LMNAGAATSHR
SCHEMBL7570355 0.83 EDNRB (0.49) EDNRBEDNRAALDH1A1LMNATSHR
SCHEMBL7568031 0.83 EDNRB (0.65) EDNRBEDNRAALDH1A1LMNAGAA
SCHEMBL7573973 0.82 CYP2C9 (0.42) EDNRBEDNRAALDH1A1LMNATSHR
SCHEMBL7570796 0.82 EDNRA (0.55) EDNRBEDNRA
SCHEMBL7568959 0.81 EDNRB (0.47) EDNRBEDNRA

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 5 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 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