SCHEMBL8008937

SCHEMBL8008937

NCCC(=O)N(O)CCN

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
KDM4A O75164 14/20 0.38
HIF1A Q16665 1/20 0.38
TET2 Q6N021 1/20 0.38
DOHH Q9BU89 1/20 0.38
KDM4C Q9H3R0 13/20 0.35
KDM5A P29375 2/20 0.35
PHF8 Q9UPP1 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
KDM7A Q6ZMT4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11859986 0.77 KDM5A (0.58) KDM4AKDM4CKDM5APHF8KDM2A
SCHEMBL8968240 0.75 LMNA (0.39) ALOX5KDM4AKDM4CKDM5APHF8
SCHEMBL30966029 0.73 LMNA (0.37) ALOX5KDM4AKDM4CKDM5APHF8
SCHEMBL22081042 0.72
SCHEMBL22031943 0.72
SCHEMBL22081688 0.70
SCHEMBL12179743 0.70
SCHEMBL14981963 0.69 KDM4A (0.62) KDM4AHIF1ATET2DOHHKDM4C
SCHEMBL18951929 0.68 KDM4A (0.66) KDM4AHIF1ATET2DOHHKDM4C
SCHEMBL18970370 0.68 KDM4C (0.66) KDM4AKDM4CKDM5APHF8KDM2A

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
US-6056939-A Self-assembling heteropolymetallic chelates as imaging agents and radiopharmaceuticals BRACCO IMAGING S.P.A. (IT) 2000-05-02 US disclosed