SCHEMBL6986037

SCHEMBL6986037

NS(=O)(=O)c1ccccc1-c1ccc(-c2ncco2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.56
EDNRA P25101 5/20 0.56
LTA4H P09960 1/20 0.48
ALOX5AP P20292 5/20 0.44
FEN1 P39748 5/20 0.44
HPGDS O60760 1/20 0.42
FAAH O00519 1/20 0.41
EPHX2 P34913 1/20 0.41
HDAC4 P56524 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
F10 P00742 3/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL6026444 0.88 BRD4 (0.43) EDNRBEDNRALTA4HALOX5APFEN1
SCHEMBL7868303 0.85 EDNRB (0.56) EDNRBEDNRALTA4HHPGDSFAAH
SCHEMBL7408116 0.85 BRD4 (0.41) EDNRBEDNRALTA4HALOX5APFEN1
SCHEMBL7402494 0.80 EDNRB (0.41) EDNRBEDNRAALOX5APFEN1
SCHEMBL372585 0.80 LTA4H (0.43) EDNRBEDNRALTA4HHPGDSFAAH
SCHEMBL5822874 0.79 PTGS2 (0.54)
SCHEMBL8350056 0.79 CA1 (0.54) ALOX5APFEN1
SCHEMBL18118210 0.78 CA2 (0.54) LTA4H
SCHEMBL8717479 0.76 EDNRA (0.52) EDNRBEDNRA
SCHEMBL8566286 0.76 EDNRA (0.58) EDNRBEDNRAALOX5APFEN1

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
EP-1328523-A2 METHODS FOR THE PREPARATION OF BIPHENYL ISOXAZOLE SULFONAMIDES Bristol-Myers Squibb Company (US) 2003-07-23 EP claimed
WO-2002032884-A2 METHODS FOR THE PREPARATION OF BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-25 WO claimed