SCHEMBL27770545

SCHEMBL27770545

[CH2]c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.79
GAA P10253 1/20 0.66
RAPGEF4 Q8WZA2 1/20 0.53
HSD11B1 P28845 1/20 0.51
CA2 P00918 4/20 0.50
CA1 P00915 2/20 0.50
LOX P28300 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.48
PKLR P30613 1/20 0.48
RAB9A P51151 1/20 0.48
AKR1B1 P15121 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 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
SCHEMBL14486413 0.89 PKM (1.00) PKMGAARAPGEF4HSD11B1CA2
SCHEMBL835692 0.89 PKM (1.00) PKMGAARAPGEF4HSD11B1CA2
SCHEMBL13074716 0.89 PKM (1.00) PKMGAARAPGEF4HSD11B1CA2
SCHEMBL18069681 0.83 PKM (0.86) PKMGAARAPGEF4HSD11B1CA2
SCHEMBL19008825 0.83 PKM (0.86) PKMGAARAPGEF4HSD11B1CA2
SCHEMBL17472319 0.83 PKM (0.86) PKMGAARAPGEF4HSD11B1CA2
SCHEMBL14148915 0.83 PKM (0.86) PKMGAARAPGEF4HSD11B1CA2
SCHEMBL3223 0.82
SCHEMBL13665511 0.81 PKM (0.83) PKMGAARAPGEF4HSD11B1HTT
SCHEMBL825670 0.81 PKM (0.83) PKMGAARAPGEF4HSD11B1HTT

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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed