SCHEMBL7940666

SCHEMBL7940666

CS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.86
GAA P10253 2/20 0.61
PKM P14618 1/20 0.61
LMNA P02545 1/20 0.52
RAPGEF4 Q8WZA2 1/20 0.52
ELANE P08246 1/20 0.52
PTGS2 P35354 4/20 0.51
CA2 P00918 3/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
PTGS1 P23219 1/20 0.49
MELK Q14680 1/20 0.47
FYN P06241 1/20 0.46
MAP4K4 O95819 1/20 0.46
MINK1 Q8N4C8 1/20 0.46
TNIK Q9UKE5 1/20 0.46

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
SCHEMBL1535 0.93 ENPP2 (1.00) ENPP2GAAPKMLMNAPTGS2
SCHEMBL124022 0.87 GAA (0.67) ENPP2GAAPKMLMNARAPGEF4
SCHEMBL18838 0.87 GAA (0.67) ENPP2GAAPKMLMNARAPGEF4
SCHEMBL29724901 0.87 GAA (0.67) ENPP2GAAPKMLMNARAPGEF4
SCHEMBL3792342 0.87 GAA (0.67) ENPP2GAAPKMLMNARAPGEF4
SCHEMBL17548700 0.87 ENPP2 (0.62) ENPP2GAAPKMLMNAPTGS2
SCHEMBL388018 0.86 ENPP2 (0.86) ENPP2LMNAPTGS2CA2CA12
SCHEMBL11699158 0.85 GAA (0.64) ENPP2GAAPKMLMNARAPGEF4
SCHEMBL7938040 0.85 GAA (0.64) ENPP2GAAPKMLMNARAPGEF4
Water SCHEMBL6425932 0.85 GAA (0.64) ENPP2GAAPKMLMNARAPGEF4

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
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed