SCHEMBL28291927

SCHEMBL28291927

O=C(O)c1cccnc1-c1ccccn1.[Os]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.69
TDP1 Q9NUW8 1/20 0.69
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
ALOX15 P16050 2/20 0.52
BLM P54132 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
AGER Q15109 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 4/20 0.50
NAPRT Q6XQN6 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM6B O15054 1/20 0.49
KDM4A O75164 1/20 0.49
KDM5C P41229 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49
KDM3A Q9Y4C1 1/20 0.49

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
SCHEMBL29693966 0.98 KDM4E (0.71) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL646624 0.98 KDM4E (0.71) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL31214633 0.96 KDM4E (0.69) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL2384672 0.96 KDM4E (0.69) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL28561077 0.96 KDM4E (0.69) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
Dipyridyl SCHEMBL3954419 0.89 KDM4E (0.75) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
Trifluoroacetic Acid SCHEMBL29693943 0.89 KDM4E (0.59) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL8195742 0.87 KDM4E (0.61) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL29260719 0.87 KDM4E (0.61) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL29267723 0.85 KDM4E (0.54) KDM4ETDP1ALDH1A1L3MBTL1ALOX15

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-106928477-B Preparation method and application of electrochemiluminescence polymer nanoparticles 苏州大学 2019-04-26 CN claimed
CN-106928477-B Preparation method and application of electrochemiluminescence polymer nanoparticles 苏州大学 2019-04-26 CN disclosed