SCHEMBL8323734

SCHEMBL8323734

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C)nc1OCCOC(=O)Nc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 1.00
EDNRA P25101 19/20 1.00
ABCC3 O15438 1/20 0.63
ABCC4 O15439 1/20 0.63
NR1I2 O75469 1/20 0.63
ABCB11 O95342 1/20 0.63
DHPS P49366 1/20 0.63
NR1H3 Q13133 1/20 0.63
NR1I3 Q14994 1/20 0.63

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
SCHEMBL8327211 0.93 EDNRA (1.00) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL8320276 0.92 EDNRA (1.00) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL8326946 0.91 EDNRB (1.00) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL9091524 0.91 EDNRA (0.84) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL8323301 0.91 EDNRA (1.00) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL9092371 0.91 EDNRB (0.83) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL8328691 0.90 EDNRA (1.00) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL8328410 0.89 EDNRB (1.00) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL8322960 0.89 EDNRB (1.00) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL9092658 0.89 EDNRA (0.86) EDNRBEDNRAABCC3ABCC4NR1I2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP claimed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed