SCHEMBL7979107

SCHEMBL7979107

CC#CCOc1nc(-c2ncccn2)nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 1.00
EDNRB P24530 13/20 1.00
ABCC3 O15438 1/20 0.77
ABCC4 O15439 1/20 0.77
NR1I2 O75469 1/20 0.77
ABCB11 O95342 1/20 0.77
DHPS P49366 1/20 0.77
NR1H3 Q13133 1/20 0.77
NR1I3 Q14994 1/20 0.77

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
SCHEMBL6785612 0.93 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6791211 0.92 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6785095 0.92 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7974326 0.91 EDNRA (0.87) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7962796 0.91 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7795452 0.90 EDNRA (0.93) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6783543 0.89 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6785709 0.89 EDNRA (0.83) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7947350 0.89 EDNRA (0.83) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL3105024 0.89 EDNRA (0.82) EDNRAEDNRBABCC3ABCC4NR1I2

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
WO-2001081335-A1 PYRIMIDINE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO claimed
WO-2001081335-A1 PYRIMIDINE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed