SCHEMBL19236381

SCHEMBL19236381

Nc1cc(O)cc2oc(-c3cc(O)c(O)c(O)c3)c(O)c(=O)c12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.76
KMT2A Q03164 8/20 0.76
CYP1A2 P05177 7/20 0.76
CYP3A4 P08684 6/20 0.76
CYP2C9 P11712 6/20 0.76
FTO Q9C0B1 6/20 0.76
CYP1A1 P04798 6/20 0.76
CYP1B1 Q16678 6/20 0.76
TDP1 Q9NUW8 5/20 0.76
KDM4E B2RXH2 5/20 0.76
ALOX15 P16050 5/20 0.76
RECQL P46063 5/20 0.76
HSD17B10 Q99714 5/20 0.76
MAPT P10636 5/20 0.76
XDH P47989 5/20 0.76
ABCC1 P33527 4/20 0.76
HIF1A Q16665 4/20 0.76
BCHE P06276 4/20 0.76
CYP2D6 P10635 4/20 0.76
ACHE P22303 4/20 0.76

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
Myricetin SCHEMBL29357150 0.86 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Myricetin SCHEMBL3503992 0.86 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Myricetin SCHEMBL19302 0.86 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL13856437 0.82 MEN1 (0.76) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Myricetin SCHEMBL15609358 0.80 MEN1 (0.89) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL25926916 0.80 MAPK8 (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Myricetin SCHEMBL1064954 0.79 MEN1 (0.92) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL12640011 0.79 NOX4 (0.79) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL28432225 0.78 MEN1 (0.85) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL21565056 0.78 MEN1 (0.83) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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
WO-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 WO disclosed