SCHEMBL8968772

SCHEMBL8968772

NCCNCCNCCNCCN(CC(=O)O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
EYA2 O00167 1/20 0.50
APP P05067 1/20 0.50
ACE P12821 1/20 0.50
LMNA P02545 4/20 0.48
BLM P54132 3/20 0.48
ALOX15 P16050 2/20 0.48
CYP2C19 P33261 2/20 0.48
KDM4E B2RXH2 2/20 0.48
PMP22 Q01453 2/20 0.48
TSHR P16473 2/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL9714346 1.00 TDP1 (0.50) TDP1EYA2APPACELMNA
SCHEMBL10385583 0.98 TDP1 (0.52) TDP1EYA2APPACELMNA
Edetic Acid SCHEMBL22500519 0.94 TDP1 (0.58) TDP1EYA2APPACELMNA
Edetic Acid SCHEMBL28115154 0.92 TDP1 (0.61) TDP1EYA2APPACELMNA
SCHEMBL30047325 0.91 LMNA (0.43) TDP1EYA2APPACELMNA
Pentetic Acid SCHEMBL4302880 0.90 TDP1 (0.62) TDP1EYA2APPACELMNA
SCHEMBL8244141 0.87 TDP1 (0.65) TDP1EYA2APPACELMNA
Edetic Acid SCHEMBL1066723 0.86 TDP1 (0.54) TDP1EYA2APPACELMNA
Edetic Acid SCHEMBL13735825 0.85 TDP1 (0.52) TDP1EYA2APPACELMNA
SCHEMBL4373438 0.84 KDM5A (0.42) TDP1LMNABLMALOX15CYP2C19

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
EP-0509149-B1 Thermal dye sublimation transfer receiving element AGFA GEVAERT NV (BE) 1996-03-13 EP disclosed
US-5284815-A Image-receiving layer containing an isocyanate-based polymer having a crosslinked and cured surface; dyeability; releasability from the dye donor element AGFA-GEVAERT, N.V. (BE) 1994-02-08 US disclosed
EP-0509149-A1 Thermal dye sublimation transfer receiving element AGFA-GEVAERT N.V. (BE) 1992-10-21 EP disclosed