SCHEMBL28514574

SCHEMBL28514574

O=CNC(CP(=O)(O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.46
ACP3 P15309 9/20 0.42
EPHX1 P07099 1/20 0.41
ANPEP P15144 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL13140927 0.78 RIPK1 (0.46) EPHX1MEN1KMT2ATAAR1
SCHEMBL4574137 0.78 RIPK1 (0.46) EPHX1MEN1KMT2ATAAR1
SCHEMBL12572468 0.78 RIPK1 (0.46) EPHX1MEN1KMT2ATAAR1
SCHEMBL28039671 0.77 CA9 (0.56) SRCACP3MEN1KMT2ACYP1A2
SCHEMBL4800772 0.75 EEF2K (0.47) EPHX1MEN1KMT2ATAAR1
SCHEMBL14335168 0.75 KDM4E (0.55) MEN1KMT2A
SCHEMBL14335289 0.75 KMT2A (0.48) SRCACP3MEN1KMT2ACYP1A2
SCHEMBL5223140 0.74 MEN1 (0.47) EPHX1MEN1KMT2ATAAR1
SCHEMBL13317650 0.74 MEN1 (0.47) EPHX1MEN1KMT2ATAAR1
SCHEMBL19615784 0.73 SRC (0.43) SRCACP3ANPEPMEN1KMT2A

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-112209965-A Preparation method and application of chiral N- (2- (phosphoryl) -1-phenylethyl) amide 中国科学院大连化学物理研究所 2021-01-12 CN disclosed