SCHEMBL29951041

SCHEMBL29951041

NC(=O)CN(CC(N)=O)c1cccc(Cl)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 2/20 0.37
CYP2D6 P10635 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP1A2 P05177 2/20 0.37
BLM P54132 2/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
ADRA2A P08913 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTR1A P08908 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
MAOA P21397 2/20 0.36
ADRA1D P25100 2/20 0.36

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
SCHEMBL2559520 0.88 RORC (0.41) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL29957441 0.87 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL29955447 0.85 KMT2A (0.46) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL29952257 0.81 KMT2A (0.42) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL29951670 0.79 MEN1 (0.40) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL29954704 0.76 KMT2A (0.42) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL29951806 0.75 KMT2A (0.41) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL29952279 0.74 ALDH3A1 (0.41) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL29955172 0.73 TDP1 (0.41) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL29955618 0.71 KMT2A (0.43) KMT2AMEN1ALDH1A1TDP1LMNA

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed