SCHEMBL18173523

SCHEMBL18173523

[CH]OCc1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
POLB P06746 1/20 0.54
MCL1 Q07820 1/20 0.54
ALDH1A1 P00352 7/20 0.51
TDP1 Q9NUW8 2/20 0.51
SRC P12931 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP2C9 P11712 1/20 0.45
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
GAA P10253 1/20 0.42

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
SCHEMBL155768 0.84 MAPT (0.54) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL155769 0.84 ALDH1A1 (0.55) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL496224 0.81 MAPT (0.51) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL3364326 0.81 MAPT (0.51) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL496226 0.81 MAPT (0.51) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL26876840 0.80 ALDH1A1 (0.51) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL3361206 0.80 MAPT (0.50) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL126110 0.80 MAPT (0.61) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL14816242 0.79 SRC (0.55) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL5238286 0.79 ALDH1A1 (0.53) MAPTMEN1KMT2AL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577654-B2 Particulate distributed sensing elements ETH ZURICH (CH) 2020-03-03 US disclosed
EP-3286330-B1 PARTICULATE DISTRIBUTED SENSING ELEMENTS ETH ZUERICH (CH) 2019-04-17 EP disclosed
US-20180119220-A1 PARTICULATE DISTRIBUTED SENSING ELEMENTS ETH ZURICH (CH) 2018-05-03 US disclosed
EP-3286330-A1 PARTICULATE DISTRIBUTED SENSING ELEMENTS ETH Zurich (CH) 2018-02-28 EP disclosed
WO-2016169904-A1 PARTICULATE DISTRIBUTED SENSING ELEMENTS ETH ZURICH (CH) 2016-10-27 WO disclosed