SCHEMBL28599019

SCHEMBL28599019

O=C1CCC(=O)N1O.[Ru].c1ccc(-c2cccnc2-c2ccccn2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.41
TGFBR2 P37173 1/20 0.41
IDO1 P14902 2/20 0.39
PTPRC P08575 2/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
PTPN13 Q12923 1/20 0.39
BLM P54132 2/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
ABL1 P00519 1/20 0.39
PLCG1 P19174 1/20 0.39
CES1 P23141 1/20 0.39
PAX8 Q06710 1/20 0.39
RIN1 Q13671 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39

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
Dipyridyl SCHEMBL8655290 0.85 KDM4E (0.52) BLMTDP1BRD4KDM4ETP53
Dipyridyl SCHEMBL8655285 0.85 KDM4E (0.52) BLMTDP1BRD4KDM4ETP53
Dipyridyl SCHEMBL18920847 0.83 KDM4E (0.54) BLMTDP1KDM4ETP53SMN1; SMN2
Dipyridyl SCHEMBL687954 0.83 KDM4E (0.54) BLMTDP1KDM4ETP53SMN1; SMN2
Dipyridyl SCHEMBL18917065 0.81 KDM4E (0.52) BLMTDP1BRD4KDM4ETP53
SCHEMBL319436 0.81 KDM4E (0.54) TGFBR1IDO1PTPRCCTSLCTSS
SCHEMBL1504323 0.81 KDM4E (0.54) TGFBR1IDO1PTPRCCTSLCTSS
SCHEMBL78140 0.81 KDM4E (0.54) TGFBR1IDO1PTPRCCTSLCTSS
SCHEMBL30561749 0.81 KDM4E (0.54) TGFBR1IDO1PTPRCCTSLCTSS
SCHEMBL31267547 0.79 KDM4E (0.52) TGFBR1TGFBR2IDO1PTPRCCTSL

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
CN-108291912-B Method for reducing interference in immunoassays 豪夫迈·罗氏有限公司 2021-07-27 CN disclosed