SCHEMBL28512227

SCHEMBL28512227

CC(=O)OCCn1c(=O)cnc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.64
ALDH1A1 P00352 12/20 0.64
HSD17B10 Q99714 3/20 0.64
LMNA P02545 2/20 0.64
TSHR P16473 1/20 0.64
HPGD P15428 2/20 0.58
HTT P42858 2/20 0.52
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HRH1 P35367 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL11983635 0.79 KDM4E (0.75) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL30343301 0.78 KDM4E (0.63) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL11455551 0.78 KDM4E (0.63) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL9650199 0.78 KDM4E (0.65) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL13587967 0.78 LMNA (0.57) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL31439711 0.78 ALDH1A1 (0.64) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL27799043 0.77 KDM4E (0.61) KDM4EALDH1A1HSD17B10LMNAMEN1
SCHEMBL17580969 0.77 KDM4E (0.73) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL502049 0.76 SMN1; SMN2 (0.66) LMNATSHRHTTTDP1MEN1
SCHEMBL31439691 0.76 KDM4E (0.69) KDM4EALDH1A1HSD17B10LMNATSHR

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-107973755-B Preparation method of 3-acetamido quinoxalinone derivative 滨州学院 2020-12-29 CN disclosed