SCHEMBL19253399

SCHEMBL19253399

[CH]N(c1ccc(OC)cc1)S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.45
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
GAA P10253 1/20 0.43
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL8924255 0.82 PKM (0.50) PKMCES2CES1KEAP1NFE2L2
SCHEMBL10975510 0.77 CA1 (0.47) PKMCES2CES1KEAP1NFE2L2
SCHEMBL11830414 0.76 CA1 (0.46) PKMCES2CES1KEAP1NFE2L2
SCHEMBL7069246 0.74 KDM4E (0.50) CES2CES1KEAP1NFE2L2ALDH1A1
SCHEMBL11231453 0.73 CA1 (0.43) PKMKEAP1NFE2L2ALDH1A1CA1
1,4-Dimethoxybenzene SCHEMBL3855313 0.72 PKM (0.58) PKMCES2CES1ALDH1A1CA1
SCHEMBL11276636 0.71 CA1 (0.65) PKMCES2CES1ALDH1A1CA1
SCHEMBL28742001 0.71 PGR (0.53) PKMKEAP1NFE2L2ALDH1A1CA1
SCHEMBL11199444 0.70 CA1 (0.44) PKMCES2CES1KEAP1NFE2L2
Mequinol SCHEMBL23541071 0.69 PKM (0.73) PKMALDH1A1CA1CA2MMP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11199497-B2 Fluorescent compounds as sensing agents OHIO NORTHERN UNIVERSITY (US) 2021-12-14 US claimed
US-10444149-B2 Fluorescent compounds as sensing agents OHIO NORTHERN UNIVERSITY (US) 2019-10-15 US claimed
US-20190041330-A1 FLUORESCENT COMPOUNDS AS SENSING AGENTS OHIO NORTHERN UNIVERSITY 2019-02-07 US claimed
US-20170241969-A1 FLUORESCENT COMPOUNDS AS SENSING AGENTS OHIO NORTHERN UNIVERSITY 2017-08-24 US claimed
US-11199497-B2 Fluorescent compounds as sensing agents OHIO NORTHERN UNIVERSITY (US) 2021-12-14 US disclosed
US-10444149-B2 Fluorescent compounds as sensing agents OHIO NORTHERN UNIVERSITY (US) 2019-10-15 US disclosed
US-20190041330-A1 FLUORESCENT COMPOUNDS AS SENSING AGENTS OHIO NORTHERN UNIVERSITY 2019-02-07 US disclosed
US-20170241969-A1 FLUORESCENT COMPOUNDS AS SENSING AGENTS OHIO NORTHERN UNIVERSITY 2017-08-24 US disclosed