SCHEMBL7565486

SCHEMBL7565486

COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3)cc(OCCOC(=O)Nc3ccccn3)c2Oc2cccc(OC)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.66
RXFP1 Q9HBX9 2/20 0.55
THRB P10828 1/20 0.48
EDNRA P25101 8/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
POLB P06746 3/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 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
SCHEMBL7570825 0.94 EDNRB (0.62) EDNRBRXFP1EDNRA
SCHEMBL7568007 0.91 EDNRB (0.58) EDNRBRXFP1EDNRA
SCHEMBL7565948 0.87 EDNRB (0.57) EDNRBEDNRA
SCHEMBL7567752 0.86 EDNRB (0.87) EDNRBRXFP1THRBEDNRAALDH1A1
SCHEMBL7567616 0.85 EDNRA (0.57) EDNRBEDNRA
SCHEMBL7566513 0.85 EDNRA (0.65) EDNRBRXFP1EDNRA
SCHEMBL7575456 0.85 EDNRA (0.58) EDNRBRXFP1EDNRAPOLB
SCHEMBL7946308 0.83 EDNRB (0.85) EDNRBRXFP1THRBEDNRAALDH1A1
SCHEMBL7575392 0.83 EDNRA (0.58) EDNRBRXFP1EDNRAPOLB
SCHEMBL8045720 0.83 EDNRB (0.81) EDNRBRXFP1THRBALDH1A1LMNA

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 8 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
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
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
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