SCHEMBL2346337

SCHEMBL2346337

NCCNC(c1cccc(C(=O)O)n1)c1cccc(C(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ACMSD Q8TDX5 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.41
CA1 P00915 7/20 0.39
CA2 P00918 7/20 0.39
KDM4C Q9H3R0 1/20 0.37
GNE Q9Y223 1/20 0.36

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
SCHEMBL28804098 0.76 KDM4E (0.53) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL15812423 0.74 KDM4E (0.52) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2346330 0.73 KDM4E (0.50) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL22931517 0.72 KDM4E (0.64) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2308891 0.72 KDM4E (0.48) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL24581326 0.71 KDM4E (0.61) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL6122425 0.71 KDM4E (0.61) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29375171 0.71 KDM4E (0.61) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL100967 0.71 KDM4E (0.61) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL7419647 0.71 KDM4E (0.61) KDM4EALOX15TSHRACMSDTDP1

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
EP-3318555-B1 BIFUNCTIONAL CHELATING AGENTS BWXT MEDICAL LTD (CA) 2023-08-16 EP disclosed
EP-3318555-A1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc. (CA) 2018-05-09 EP disclosed
EP-2536691-B1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-11-22 EP disclosed
EP-2536691-A1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc. (CA) 2012-12-26 EP disclosed
WO-2011100829-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. (CA) 2011-08-25 WO disclosed