SCHEMBL29951027

SCHEMBL29951027

CN1N=C(C(=O)O)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
POLB P06746 4/20 0.50
GAA P10253 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RECQL P46063 2/20 0.50
THRB P10828 2/20 0.50
RAB9A P51151 2/20 0.35
TDP1 Q9NUW8 2/20 0.33
CASP6 P55212 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
KMT2A Q03164 3/20 0.33
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.30
LOX P28300 1/20 0.30

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
SCHEMBL2285778 0.81 RAB9A (0.47) KDM4EPOLBGAAL3MBTL1RECQL
SCHEMBL10105988 0.77 KDM4E (0.44) KDM4EPOLBGAAL3MBTL1RECQL
SCHEMBL12285505 0.70
SCHEMBL12384188 0.69 POLB (0.76) KDM4EPOLBGAAL3MBTL1RECQL
SCHEMBL12646078 0.68 RAB9A (0.47) KDM4EPOLBGAAL3MBTL1RECQL
SCHEMBL21395238 0.67 RAB9A (0.42) KDM4EPOLBGAAL3MBTL1RECQL
Medazomide SCHEMBL1817436 0.67 RAB9A (0.46) KDM4EPOLBGAAL3MBTL1RECQL
SCHEMBL7252699 0.67 L3MBTL1 (1.00) KDM4EGAAL3MBTL1RECQLTHRB
SCHEMBL17525125 0.65 GAA (0.50) KDM4EGAAL3MBTL1RECQLTHRB
SCHEMBL17291049 0.65

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