SCHEMBL29964294

SCHEMBL29964294

NCCNCCN[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.53
GGT1 P19440 1/20 0.51
NAALAD2 Q9Y3Q0 3/20 0.47
RIMKLA Q8IXN7 1/20 0.47
GGH Q92820 1/20 0.41
CYP1A2 P05177 2/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GSR P00390 1/20 0.38
GRIK1 P39086 1/20 0.38
GRM5 P41594 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
GRIA4 P48058 1/20 0.38

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
SCHEMBL7447970 0.89 GGT1 (0.62) FOLH1GGT1NAALAD2RIMKLAGGH
SCHEMBL28078777 0.89 GGT1 (0.62) FOLH1GGT1NAALAD2RIMKLAGGH
SCHEMBL4947917 0.89 GGT1 (0.62) FOLH1GGT1NAALAD2RIMKLAGGH
SCHEMBL20511491 0.88 GGT1 (0.50) FOLH1GGT1NAALAD2RIMKLANOD1
SCHEMBL141783 0.85 FOLH1 (0.61) FOLH1GGT1NAALAD2RIMKLAGGH
SCHEMBL29356795 0.85 FOLH1 (0.61) FOLH1GGT1NAALAD2RIMKLAGGH
SCHEMBL8769194 0.85 FOLH1 (0.61) FOLH1GGT1NAALAD2RIMKLAGGH
SCHEMBL8768068 0.85 FOLH1 (0.61) FOLH1GGT1NAALAD2RIMKLAGGH
SCHEMBL5014954 0.84 FOLH1 (0.52) FOLH1GGT1NAALAD2RIMKLAGGH
SCHEMBL13154755 0.83 FOLH1 (0.57) FOLH1GGT1NAALAD2RIMKLAGGH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113616815-B pH responsive T 1 /T 2 Switching type MRI contrast agent and preparation method and application thereof 中国科学院苏州纳米技术与纳米仿生研究所 2022-11-22 CN claimed
CN-113616815-B pH responsive T 1 /T 2 Switching type MRI contrast agent and preparation method and application thereof 中国科学院苏州纳米技术与纳米仿生研究所 2022-11-22 CN disclosed