SCHEMBL18138404

SCHEMBL18138404

[O]N=C1c2ccccc2-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
HSP90AA1 P07900 2/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
STAT6 P42226 1/20 0.39
HIF1A Q16665 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL11429514 0.83 PTPRC (0.49) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL18138415 0.83 HSP90AA1 (0.46) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL18138396 0.82 S100A4 (0.53) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL2983469 0.79 PTPRC (0.57) MAPTALDH1A1MAPK1CYP3A4TP53
SCHEMBL630898 0.79 ALDH1A1 (0.59) MAPTALDH1A1MAPK1CYP3A4TP53
SCHEMBL2832447 0.78 PTPRC (0.44) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL6931833 0.73 HSP90AA1 (0.41) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL155146 0.72 ALDH1A1 (0.69) MAPTALDH1A1MAPK1CYP3A4TP53
SCHEMBL2825166 0.71 S100A4 (0.51) MAPTALDH1A1MAPK1CYP3A4TP53
SCHEMBL28089412 0.71 ALDH1A1 (0.67) MAPTALDH1A1MAPK1CYP3A4TP53

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