SCHEMBL7946062

SCHEMBL7946062

COc1ccc(S(=O)(=O)Nc2nc(C(N)=O)nc(OCCO)c2Oc2cccc(OC)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.61
EDNRB P24530 5/20 0.61
ABCC3 O15438 1/20 0.49
ABCC4 O15439 1/20 0.49
NR1I2 O75469 1/20 0.49
ABCB11 O95342 1/20 0.49
DHPS P49366 1/20 0.49
NR1H3 Q13133 1/20 0.49
NR1I3 Q14994 1/20 0.49

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
SCHEMBL7946111 0.93 EDNRA (0.73) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7589737 0.92 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7583371 0.88 EDNRA (0.58) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7586176 0.88 EDNRA (0.68) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7596382 0.87 EDNRA (0.65) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7591783 0.86 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7586114 0.85 EDNRA (0.75) EDNRAEDNRBABCC3ABCC4NR1I2
Benzamide SCHEMBL7583369 0.83 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7591775 0.83 EDNRB (0.51) EDNRAEDNRB
SCHEMBL7596644 0.82 EDNRA (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed