SCHEMBL7694756

SCHEMBL7694756

COc1cc(OC)nc(-c2nc(Cl)c(Oc3ccccc3OC)c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)n2)n1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.59
EDNRB P24530 12/20 0.59
ABCC3 O15438 1/20 0.59
ABCC4 O15439 1/20 0.59
NR1I2 O75469 1/20 0.59
ABCB11 O95342 1/20 0.59
DHPS P49366 1/20 0.59
NR1H3 Q13133 1/20 0.59
NR1I3 Q14994 1/20 0.59

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
SCHEMBL29770411 0.90 EDNRA (0.72) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL617288 0.90 EDNRA (0.72) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL5686011 0.89 EDNRA (0.71) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL625550 0.89 EDNRA (0.71) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7293882 0.89 EDNRA (0.72) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7206040 0.86 EDNRA (0.60) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7197302 0.86 EDNRA (0.70) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6780523 0.86 EDNRA (0.71) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7297628 0.86 EDNRA (0.68) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7295082 0.85 EDNRA (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6337334-B1 SUBSTITUTED BIPYRIMIDINES WITH ETHERS AND SULFONAMIDE GROUPS COMPOUNDS EXHIBIT STRONG BINDING INHIBITORY ACTIVITY AGAINST ENDOTHELIN HAVING POTENT VASOCONSTRICTIVE EFFECT AND CELL PROLIFERATION EFFECT. KOWA CO., LTD. (JP) 2002-01-08 US disclosed
US-6008224-A POTENT ENDOTHELIN ANTAGONISM TREATING VASOCONSTRICTIVE EFFECT AND CELL PROLIFERATION EFFECT KOWA CO., LTD. (JP) 1999-12-28 US disclosed
EP-0801062-A1 PYRIMIDINE DERIVATIVES KOWA CO. LTD. (JP) 1997-10-15 EP disclosed