SCHEMBL8720353

SCHEMBL8720353

COC(=O)c1cc(-c2ccc(-c3ncco3)cc2)c(S(N)(=O)=O)c(C)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.47
EDNRB P24530 6/20 0.42
EDNRA P25101 6/20 0.42
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
ACLY P53396 1/20 0.37
LIPC P11150 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
HDAC4 P56524 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CG P48736 1/20 0.35
FAAH O00519 1/20 0.35
EPHX2 P34913 1/20 0.35
LTA4H P09960 1/20 0.35
IL2 P60568 1/20 0.35

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
SCHEMBL8720324 0.78 CFTR (0.40) CFTREDNRBEDNRAGLRA3GLRB
SCHEMBL8566288 0.72 EDNRB (0.44) EDNRBEDNRALIPCLIPG
SCHEMBL3349057 0.70 GLRA3 (0.60) GLRA3GLRBCA2CA1CA9
SCHEMBL23292530 0.69 GLRA3 (0.50) CFTRGLRA3GLRBACLYLTA4H
SCHEMBL8348277 0.69 CFTR (0.58) CFTRGLRA3GLRBHDAC4CYP46A1
SCHEMBL5063409 0.69 TRPM4 (0.50) CFTRGLRA3GLRBACLYHDAC4
SCHEMBL16463175 0.67 CYP46A1 (0.58) CFTRGLRA3GLRBCYP46A1
SCHEMBL6986037 0.67 EDNRB (0.56) EDNRBEDNRAHDAC4FAAHEPHX2
SCHEMBL15896819 0.66 GLRA3 (0.56) CFTRGLRA3GLRBHDAC4LTA4H
SCHEMBL18118210 0.66 CA2 (0.54) CA2CA1CA9LTA4H

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-5827869-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 US disclosed