SCHEMBL8720324

SCHEMBL8720324

COC(=O)c1ccc(-c2ccc(-c3ncco3)cc2)c(S(N)(=O)=O)c1CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.40
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
LTA4H P09960 5/20 0.36
EDNRB P24530 2/20 0.35
EDNRA P25101 2/20 0.35
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
TRPM4 Q8TD43 1/20 0.34
CA2 P00918 4/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 2/20 0.33
CA5A P35218 1/20 0.33
HDAC4 P56524 1/20 0.33
CYP46A1 Q9Y6A2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8720353 0.78 CFTR (0.47) CFTRGLRA3GLRBLTA4HEDNRB
SCHEMBL3349057 0.69 GLRA3 (0.60) GLRA3GLRBLTA4HCA2CA1
SCHEMBL8566288 0.69 EDNRB (0.44) EDNRBEDNRALIPCLIPG
SCHEMBL5063409 0.68 TRPM4 (0.50) CFTRGLRA3GLRBLTA4HTRPM4
SCHEMBL23292530 0.66 GLRA3 (0.50) CFTRGLRA3GLRBLTA4HTRPM4
SCHEMBL8348277 0.66 CFTR (0.58) CFTRGLRA3GLRBHDAC4CYP46A1
SCHEMBL18118210 0.65 CA2 (0.54) LTA4HCA2CA1CA9CA12
SCHEMBL305696 0.65 CFTR (0.53) CFTRGLRA3GLRBALDH1A1KDM4E
SCHEMBL16463175 0.64 CYP46A1 (0.58) CFTRGLRA3GLRBCYP46A1ALDH1A1
SCHEMBL28732679 0.64 CA2 (0.47) CA2CA1CA9CA5AALDH1A1

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