SCHEMBL28945282

SCHEMBL28945282

C=CCOc1ccc(OC(N)=O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
FLT3 P36888 1/20 0.49
PDE4B Q07343 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP2D6 P10635 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGS1 P23219 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.43
LTA4H P09960 1/20 0.43
PARP1 P09874 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL28945297 0.96 KDM4E (0.52) KDM4EFLT3PDE4BALDH1A1CYP2D6
SCHEMBL21101774 0.83 CA12 (0.59) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL22215820 0.82 KDM4E (0.57) KDM4EFLT3ALDH1A1CYP2D6MEN1
SCHEMBL24436737 0.80 ALDH1A1 (0.58) KDM4EFLT3ALDH1A1CYP2D6MEN1
SCHEMBL1067955 0.80 KDM4E (0.72) KDM4EPDE4BALDH1A1CYP2D6MEN1
SCHEMBL28663584 0.78 MAPK1 (0.56) KDM4EPDE4BMEN1KMT2AMAPT
SCHEMBL28945284 0.76 MEN1 (0.53) KDM4EALDH1A1CYP2D6MEN1KMT2A
SCHEMBL27529057 0.76 CA12 (0.53) KDM4EALDH1A1MEN1KMT2APTGS1
SCHEMBL23757425 0.76 KDM4E (0.64) KDM4EALDH1A1CYP2D6MEN1KMT2A
SCHEMBL14907128 0.75 KDM4E (0.74) KDM4EPDE4BALDH1A1MAPTMAPK1

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-115515588-A Macrocyclic ULK1/2 inhibitors 萨克生物研究学院 2022-12-23 CN disclosed