SCHEMBL8568415

SCHEMBL8568415

COc1cc(S(=O)(=O)O)c(N)cc1S(=O)(=O)O.Nc1cc(S(=O)(=O)O)c(N)cc1S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.55
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 3/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
F2 P00734 3/20 0.39
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL1755131 1.00 PKM (0.55) PKMALDH1A1LMNAMAPTKMT2A
SCHEMBL2914715 0.94 PKM (0.56) PKMALDH1A1LMNAMAPTKMT2A
SCHEMBL4650366 0.89 PKM (0.70) PKMALDH1A1LMNAMAPTKMT2A
SCHEMBL4649818 0.89 PKM (0.59) PKMALDH1A1LMNAMAPTKMT2A
SCHEMBL8113725 0.89 PKM (0.59) PKMALDH1A1LMNAMAPTKMT2A
SCHEMBL4649757 0.89 PKM (0.59) PKMALDH1A1LMNAMAPTKMT2A
SCHEMBL1888725 0.88 ALDH1A1 (0.51) PKMALDH1A1LMNAMAPTKMT2A
SCHEMBL2911879 0.85 PKM (0.47) PKMALDH1A1LMNAMAPTKMT2A
SCHEMBL2905614 0.84 GAA (0.56) PKMALDH1A1LMNAMAPTKMT2A
SCHEMBL9646422 0.84 PKM (0.69) PKMALDH1A1LMNAMAPTKMT2A

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-5834601-A DYEING CELLULOSE, WOOL, POLYAMIDE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-11-10 US disclosed