SCHEMBL9745397

SCHEMBL9745397

O=S(=O)(I)c1ccccc1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA6 P23280 3/20 0.36
CA9 Q16790 3/20 0.36
HTR6 P50406 3/20 0.36
CA4 P22748 2/20 0.36
CA12 O43570 2/20 0.36
CYP2C9 P11712 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CA14 Q9ULX7 1/20 0.36
ITGAV P06756 1/20 0.35
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
PLCG1 P19174 1/20 0.33

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
SCHEMBL9745390 0.83 GAA (0.43) GAACA1CA2CA6CA9
SCHEMBL1682100 0.81 GAA (0.50) GAACA1CA2CA6CA9
SCHEMBL29321430 0.80 ITGAV (0.43) GAACA1CA2CA6CA9
SCHEMBL7430693 0.79 GAA (0.37) GAACA1CA2CA6CA9
SCHEMBL2887767 0.77 ELANE (0.48) GAACA1CA2CA6CA9
SCHEMBL2893446 0.77 CA1 (0.39) GAACA1CA2CA6CA9
SCHEMBL745249 0.77 ALDH1A1 (0.44) GAACA1CA2CA6CA9
SCHEMBL648702 0.77 BCAT2 (0.40) GAACA1CA2CA6CA9
SCHEMBL1471236 0.77 CA2 (0.56) GAACA1CA2CA6CA9
SCHEMBL7990343 0.77 GAA (0.36) GAACA1CA2CA6CA9

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-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed