SCHEMBL7404641

SCHEMBL7404641

O=S(=O)(Nc1ncco1)c1ccccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.53
▸ EDNRA P25101 14/20 0.52
▸ EDNRB P24530 12/20 0.52
▸ FBP1 P09467 1/20 0.50
▸ HSD11B1 P28845 2/20 0.43

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
SCHEMBL10420864 0.79 EDNRA (0.48) EDNRAEDNRB
SCHEMBL6026448 0.79 HSD11B1 (0.56) SCN9AHSD11B1
SCHEMBL7947359 0.77 RAB9A (0.43) SCN9AEDNRAEDNRB
SCHEMBL8694517 0.77 EDNRA (0.56) EDNRAEDNRBFBP1
SCHEMBL7508467 0.77 EDNRB (0.50) EDNRAEDNRB
SCHEMBL4617033 0.75 ALDH1A1 (0.54) EDNRAEDNRB
SCHEMBL8350452 0.73 EDNRA (0.54) EDNRAEDNRBFBP1
SCHEMBL7243371 0.72 EDNRA (0.54) SCN9AEDNRAEDNRBFBP1
SCHEMBL7230668 0.72 EDNRA (0.54) EDNRAEDNRBFBP1
SCHEMBL7402493 0.71 EDNRA (0.39) SCN9AEDNRAEDNRBFBP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921800-A4 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL MYERS SQUIBB CO (US) 2000-12-06 — — EP disclosed
EP-0921800-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-16 — — EP disclosed
WO-1997029748-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-21 — — WO disclosed
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