SCHEMBL20125503

SCHEMBL20125503

O=NC(=O)c1cccc(CNCCNCc2cccc(C(=O)O)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MRGPRX4 Q96LA9 5/20 0.41
LMNA P02545 1/20 0.38
BRD4 O60885 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
PTGER1 P34995 1/20 0.34
GNE Q9Y223 1/20 0.34

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
SCHEMBL12453252 0.89 KDM4E (0.55) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL30022810 0.89 KDM4E (0.55) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29472221 0.88 KDM4E (0.53) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL12453819 0.83 KDM4E (0.52) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL22442713 0.83 KDM4E (0.59) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL26029689 0.82 KDM4E (0.47) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL19623122 0.81 SMN1; SMN2 (0.57) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL30015620 0.81 KDM4E (0.46) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2308891 0.81 KDM4E (0.48) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29340455 0.80 KDM4E (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318555-A1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc. (CA) 2018-05-09 EP disclosed