SCHEMBL8056643

SCHEMBL8056643

CCOC(OC)N(c1onc(C)c1C)S(=O)(=O)c1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.43
EDNRB P24530 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
BRD4 O60885 1/20 0.34
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL6770893 0.87 POLB (0.36) EDNRAEDNRBL3MBTL1MAPTTP53
SCHEMBL6772980 0.85 EDNRB (0.41) EDNRAEDNRB
SCHEMBL6777477 0.84 EDNRA (0.42) EDNRAEDNRB
SCHEMBL6772649 0.82 TDP1 (0.34) KMT2ATDP1HSD11B1
SCHEMBL4632432 0.81 MAPT (0.36) MAPTTP53KMT2APOLB
SCHEMBL7086343 0.80 EDNRA (0.38) EDNRAMAPTTP53KMT2ATDP1
SCHEMBL4632109 0.79 EDNRB (0.43) EDNRAEDNRBMAPTTP53KMT2A
SCHEMBL6777054 0.78 EDNRA (0.46) EDNRA
SCHEMBL6776263 0.78 EDNRA (0.46) EDNRA
SCHEMBL7956927 0.77 EDNRA (0.43) EDNRAEDNRBL3MBTL1MAPTTP53

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
US-6080774-A Substituted biphenylsulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-27 US disclosed
EP-0768305-A1 N-Isoxazolyl-biphenylsulfonamide derivatives, their preparation and their use as endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-16 EP disclosed