SCHEMBL12801475

SCHEMBL12801475

CC(=O)NCC(=O)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
PAOX Q6QHF9 3/20 0.38
CRBN Q96SW2 1/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TAS2R38 P59533 1/20 0.35
F2 P00734 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
FAAH O00519 2/20 0.32
ADRA1A P35348 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL13410473 0.78 KDM4E (0.43) KDM4EMAPK1HIF1APAOXTSHR
SCHEMBL292864 0.78
Bromide SCHEMBL5490789 0.76
SCHEMBL17327533 0.76 KDM4E (0.42) KDM4EMAPK1HIF1APAOXTSHR
Hydrochloric Acid SCHEMBL6045193 0.76
SCHEMBL12444856 0.75 TDP1 (0.43) KDM4EMAPK1HIF1APAOXCRBN
SCHEMBL4882296 0.74
SCHEMBL78087 0.74
SCHEMBL13967165 0.73 CA1 (0.40) KDM4ECA2MAPT
SCHEMBL13882420 0.72

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
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed