SCHEMBL28908992

SCHEMBL28908992

O=C(OO)c1ccc2ccccc2n1.[Ni]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
MGAM O43451 1/20 0.61
KDM4E B2RXH2 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CNR2 P34972 3/20 0.56
HDAC8 Q9BY41 1/20 0.56
ALDH1A1 P00352 4/20 0.54
GAA P10253 2/20 0.54
KMT2A Q03164 2/20 0.54
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL5176927 0.98 MGAM (0.63) MAPTMGAMKDM4ESMN1; SMN2CNR2
SCHEMBL27643442 0.96 MAPT (0.61) MAPTMGAMKDM4ESMN1; SMN2CNR2
SCHEMBL3954441 0.85 MGAM (0.66) MAPTMGAMKDM4ESMN1; SMN2CNR2
SCHEMBL6955948 0.83 MGAM (0.63) MAPTMGAMKDM4ESMN1; SMN2CNR2
SCHEMBL4302912 0.81 MGAM (0.61) MAPTMGAMKDM4ESMN1; SMN2CNR2
SCHEMBL4606005 0.81 MGAM (0.61) MAPTMGAMKDM4ESMN1; SMN2CNR2
SCHEMBL28990407 0.81 MGAM (0.61) MAPTMGAMKDM4ESMN1; SMN2CNR2
SCHEMBL725183 0.81 MGAM (0.61) MAPTMGAMKDM4ESMN1; SMN2CNR2
SCHEMBL30208641 0.81 MGAM (0.61) MAPTMGAMKDM4ESMN1; SMN2CNR2
Hydrochloric Acid SCHEMBL16793838 0.80 MGAM (0.59) MAPTMGAMKDM4ESMN1; SMN2CNR2

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-112438266-A Application of 8-hydroxyquinoline manganese, magnesium and nickel complex in preparation of agricultural bactericide 兰州大学 2021-03-05 CN disclosed