SCHEMBL18138396

SCHEMBL18138396

[O]N=C1c2ccccc2-c2cccc([N+](=O)[O-])c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.53
PTPRC P08575 1/20 0.53
MAPT P10636 4/20 0.47
KMT2A Q03164 3/20 0.47
RECQL P46063 1/20 0.47
MCL1 Q07820 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
HSP90AA1 P07900 2/20 0.43
CDK5 Q00535 2/20 0.43

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
SCHEMBL18138404 0.82 MAPT (0.44) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL1559811 0.81 S100A4 (0.75) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL18138415 0.78 HSP90AA1 (0.46) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL32670296 0.77 S100A4 (0.79) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL6364877 0.77 S100A4 (0.79) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL161290 0.77 S100A4 (0.73) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL7529447 0.75 S100A4 (0.56) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL9257330 0.74 S100A4 (0.77) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL29337140 0.72 ALDH1A1 (0.71) S100A4PTPRCKMT2AMAPK1MEN1
SCHEMBL30987815 0.72 ALDH1A1 (0.71) S100A4PTPRCKMT2AMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081612-B1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO LTD (JP) 2018-11-14 EP disclosed
US-9718999-B2 Photocurable composition having adhesive properties CEMEDINE CO., LTD (JP) 2017-08-01 US disclosed
US-20160312089-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO., LTD. (JP) 2016-10-27 US disclosed
EP-3081612-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES Cemedine Co., Ltd. (JP) 2016-10-19 EP disclosed