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Sugi Predict / Compounds / SCHEMBL7565899

SCHEMBL7565899

SCHEMBL7565899

COc1cccc(Oc2c(NS(=O)(=O)c3ccc(SC)cc3)cc(C(=O)Nc3ccccc3)cc2OCCO)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 3/20 1.00
▸ THRB P10828 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ EDNRA P25101 5/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.44
▸ LMNA P02545 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PGR P06401 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ AVPR2 P30518 1/20 0.42

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
SCHEMBL7567752 0.93 EDNRB (0.87) EDNRBTHRBSMN1; SMN2HPGDPOLB
SCHEMBL7946308 0.92 EDNRB (0.85) EDNRBTHRBSMN1; SMN2HPGDPOLB
SCHEMBL7565436 0.90 EDNRB (0.82) EDNRBEDNRAALDH1A1LMNATSHR
SCHEMBL8045720 0.90 EDNRB (0.81) EDNRBTHRBSMN1; SMN2HPGDPOLB
SCHEMBL7568095 0.90 EDNRB (0.81) EDNRBTHRBSMN1; SMN2HPGDPOLB
SCHEMBL7568480 0.89 EDNRB (0.81) EDNRBTHRBEDNRATP53
SCHEMBL7569560 0.89 EDNRB (0.80) EDNRBSMN1; SMN2EDNRAALDH1A1LMNA
SCHEMBL7565840 0.85 EDNRB (0.74) EDNRBEDNRA
SCHEMBL7567753 0.83 EDNRB (0.71) EDNRBTHRBSMN1; SMN2EDNRARXFP1
SCHEMBL7567615 0.83 EDNRB (0.70) EDNRBSMN1; SMN2EDNRAALDH1A1LMNA

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