SCHEMBL29280366

SCHEMBL29280366

CNCCCC(=O)Oc1ccccc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RECQL P46063 1/20 0.54
IRAK4 Q9NWZ3 1/20 0.49
HTT P42858 2/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
MAPT P10636 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PARP1 P09874 2/20 0.43
CTNNB1 P35222 1/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9568702 0.86 KDM4E (0.59) KDM4EMEN1KMT2ARECQLIRAK4
SCHEMBL28286962 0.84 KDM4E (0.75) KDM4EMEN1KMT2ARECQLIRAK4
SCHEMBL14723638 0.83 MEN1 (0.51) KDM4EMEN1KMT2ARECQLIRAK4
SCHEMBL25278027 0.81 MEN1 (0.67) KDM4EMEN1KMT2ARECQLIRAK4
SCHEMBL27896046 0.80 MEN1 (0.65) KDM4EMEN1KMT2ARECQLIRAK4
SCHEMBL12446768 0.80 IRAK4 (0.58) KDM4EMEN1KMT2ARECQLIRAK4
SCHEMBL4564560 0.79 KDM4E (0.56) KDM4EMEN1KMT2ARECQLIRAK4
SCHEMBL13425200 0.79 HDAC1 (0.56) KDM4EMEN1KMT2ARECQLNR1I2
SCHEMBL9568812 0.77 IRAK4 (0.59) KDM4EMEN1KMT2ARECQLIRAK4
SCHEMBL30344279 0.76 LMNA (0.63) KDM4EMEN1KMT2AIRAK4HTT

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-117740961-A Compound analysis method of liquorice and liquorice probiotics fermentation preparation 北京中医药大学 2024-03-22 CN disclosed