SCHEMBL19469375

SCHEMBL19469375

O=[N+]([O-])c1cccc(S(=O)(=O)OC2CCCC(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
KMT2A Q03164 3/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 3/20 0.50
CA2 P00918 2/20 0.50
CA5A P35218 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CA1 P00915 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
MEN1 O00255 2/20 0.46
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 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
SCHEMBL9099702 0.90 PRMT5 (0.55) ACHEPRMT5WDR77KMT2AGAA
SCHEMBL19469359 0.89 PRMT5 (0.59) ACHEPRMT5WDR77KMT2AGAA
SCHEMBL19469358 0.84 ACHE (0.49) ACHEKMT2AGAAHTTLMNA
SCHEMBL8415133 0.80 PRMT5 (0.50) ACHEPRMT5WDR77KMT2AGAA
SCHEMBL8415137 0.80 PRMT5 (0.50) ACHEPRMT5WDR77KMT2AGAA
SCHEMBL8416166 0.80 PRMT5 (0.53) ACHEPRMT5WDR77KMT2AGAA
SCHEMBL8416170 0.80 PRMT5 (0.53) ACHEPRMT5WDR77KMT2AGAA
SCHEMBL19185361 0.78 PRMT5 (0.61) ACHEPRMT5WDR77KMT2AGAA
SCHEMBL9101413 0.78 ACHE (0.54) ACHEPRMT5WDR77KMT2AGAA
SCHEMBL14123126 0.78 PRMT5 (0.67) ACHEPRMT5WDR77KMT2AGAA

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
US-20200303086-A1 ELECTROCONDUCTIVE FILM AND METHOD FOR MANUFACTURING ELECTROCONDUCTIVE PATTERN TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2020-09-24 US disclosed
US-10720259-B2 Electroconductive film and method for manufacturing electroconductive pattern TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2020-07-21 US disclosed
US-20170309363-A1 ELECTROCONDUCTIVE FILM AND METHOD FOR MANUFACTURING ELECTROCONDUCTIVE PATTERN TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-10-26 US disclosed