SCHEMBL9828539

SCHEMBL9828539

CCN(CC)Cc1cc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)ccc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.77
PRKCI P41743 1/20 0.49
ACHE P22303 1/20 0.48
POLB P06746 3/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9827904 0.87 CA2 (1.00) CA2POLBMAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL29426319 0.86 CA2 (0.97) CA2POLBMAPTKDM4EMEN1
SCHEMBL9829437 0.81 CA2 (0.67) CA2POLB
Hydrochloric Acid SCHEMBL7572821 0.80 CA2 (0.77) CA2POLBMAPTGAA
SCHEMBL9829489 0.76 CA2 (0.63) CA2
SCHEMBL9832127 0.74 CA2 (0.61) CA2POLBMAPTALDH1A1GAA
SCHEMBL29599097 0.72 POLB (0.62) CA2POLBMAPTALDH1A1GAA
SCHEMBL4901587 0.72 POLB (0.62) CA2POLBMAPTALDH1A1GAA
SCHEMBL5157299 0.72 POLB (0.62) CA2POLBMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL7572817 0.71 CA2 (0.60) CA2MAPTGAA

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-0295049-B1 THIOPHENE SULFONAMIDE ANTIGLAUCOMA AGENTS MERCK & CO. INC. (US) 1991-10-09 EP claimed
EP-0295049-A2 Thiophene sulfonamide antiglaucoma agents MERCK & CO. INC. (US) 1988-12-14 EP claimed
JP-1056672-A None JP disclosed