SCHEMBL7565610

SCHEMBL7565610

COc1cccc(Oc2c(NS(=O)(=O)c3ccc(SC)cc3)cc(C(=O)N3CCOCC3)cc2OCC(O)CO)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.57
ALDH1A1 P00352 10/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 5/20 0.40
USP2 O75604 2/20 0.39
TSHR P16473 3/20 0.39
JAK2 O60674 1/20 0.39
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL7570795 0.92 EDNRB (0.59) EDNRBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL7573656 0.91 EDNRB (0.56) EDNRBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL7567416 0.90 EDNRB (0.70) EDNRBALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL7565817 0.88 EDNRB (0.53) EDNRBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL7567507 0.87 EDNRB (0.66) EDNRBALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL7572798 0.87 EDNRB (0.64) EDNRBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL8049633 0.87 EDNRB (0.59) EDNRBALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL7949262 0.85 EDNRB (0.58) EDNRBALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL7568095 0.83 EDNRB (0.81) EDNRBALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL7567452 0.80 EDNRA (0.56) EDNRBALDH1A1SMN1; 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 7 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
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