SCHEMBL7948523

SCHEMBL7948523

COCCOCn1cnn(-c2ccc(-c3ccccc3S(=O)(=O)Nc3onc(C)c3C)cc2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.59
EDNRB P24530 8/20 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
SCHEMBL7947428 0.93 EDNRA (0.59) EDNRAEDNRB
SCHEMBL6642697 0.82 EDNRA (0.68) EDNRAEDNRB
SCHEMBL6770524 0.76 EDNRB (0.61) EDNRAEDNRB
SCHEMBL6640197 0.74 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6777322 0.74 EDNRA (0.62) EDNRAEDNRB
SCHEMBL6641032 0.74 EDNRA (0.69) EDNRAEDNRB
SCHEMBL6766562 0.74 EDNRA (0.78) EDNRAEDNRB
SCHEMBL6777867 0.73 EDNRA (0.86) EDNRAEDNRB
SCHEMBL6151288 0.73 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7082905 0.73 EDNRA (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997033886-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1997-09-18 WO claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed