SCHEMBL8501423

SCHEMBL8501423

COc1ccc(NC(=O)c2sccc2S(=O)(=O)NC(=O)c2onc(C)c2Cl)c(OC)c1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.77
EDNRB P24530 13/20 0.77
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CASP1 P29466 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL6152582 0.87 EDNRA (1.00) EDNRAEDNRB
SCHEMBL4630639 0.79 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7252302 0.77 EDNRA (0.76) EDNRAEDNRB
SCHEMBL7989880 0.77 EDNRA (0.82) EDNRAEDNRB
SCHEMBL4631401 0.76 EDNRA (0.81) EDNRAEDNRB
SCHEMBL4630724 0.75 EDNRA (0.79) EDNRAEDNRB
SCHEMBL7700723 0.74 EDNRA (0.55) EDNRAEDNRB
SCHEMBL4631800 0.74 EDNRA (0.78) EDNRAEDNRB
SCHEMBL4631504 0.74 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6151317 0.73 EDNRA (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962490-A Thienyl-, furyl- and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-05 US disclosed