SCHEMBL7567784

SCHEMBL7567784

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cccc2OCCO)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.59
EDNRB P24530 6/20 0.54
CCR9 P51686 2/20 0.49
ABCC3 O15438 1/20 0.48
ABCC4 O15439 1/20 0.48
NR1I2 O75469 1/20 0.48
ABCB11 O95342 1/20 0.48
DHPS P49366 1/20 0.48
NR1H3 Q13133 1/20 0.48
NR1I3 Q14994 1/20 0.48

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
SCHEMBL7566613 0.87 EDNRA (0.58) EDNRAEDNRBCCR9ABCC3ABCC4
SCHEMBL7573691 0.87 EDNRA (0.58) EDNRAEDNRBCCR9ABCC3ABCC4
SCHEMBL7565743 0.85 EDNRA (0.74) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7567454 0.84 EDNRB (0.65) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8321011 0.81 EDNRA (0.76) EDNRAEDNRB
SCHEMBL7567778 0.81 EDNRA (0.64) EDNRAEDNRBCCR9
SCHEMBL7305595 0.80 EDNRA (0.74) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7566622 0.79 EDNRA (0.58) EDNRAEDNRBCCR9
SCHEMBL7567944 0.79 EDNRA (0.58) EDNRAEDNRB
SCHEMBL7573361 0.79 EDNRB (0.53) EDNRAEDNRB

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 6 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
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