SCHEMBL28944748

SCHEMBL28944748

O=C(O)c1c(Cl)cc(Cl)c2cccnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
LMNA P02545 6/20 0.60
MAPT P10636 6/20 0.60
ALDH1A1 P00352 6/20 0.60
HTT P42858 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
HSP90AA1 P07900 5/20 0.60
ALOX12 P18054 5/20 0.60
TDP1 Q9NUW8 4/20 0.60
MMP14 P50281 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP3A4 P08684 3/20 0.60
TP53 P04637 2/20 0.60
ALOX15 P16050 2/20 0.60
SLC6A2 P23975 2/20 0.60
OPRK1 P41145 2/20 0.60
ALOX15B O15296 1/20 0.60
NR1I2 O75469 1/20 0.60
HTR1A P08908 1/20 0.60

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
SCHEMBL29444868 0.86 KDM4E (0.55) KDM4ELMNAMAPTALDH1A1HTT
Chloroxine SCHEMBL4459987 0.78 ALOX12 (0.81) KDM4ELMNAMAPTALDH1A1HTT
SCHEMBL4061248 0.78 KDM4E (0.66) KDM4ELMNAMAPTALDH1A1HTT
Chloroxine SCHEMBL4457237 0.77 HTT (0.74) KDM4ELMNAMAPTALDH1A1HTT
SCHEMBL10466212 0.77 KDM4E (0.51) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL20944328 0.76 KDM4E (0.51) KDM4ELMNAMAPTALDH1A1HTT
SCHEMBL5069813 0.76 KDM4E (0.55) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
Chloroxine SCHEMBL3350 0.75 KDM4E (1.00) KDM4ELMNAMAPTALDH1A1HTT
Chloroxine SCHEMBL29399997 0.75 KDM4E (1.00) KDM4ELMNAMAPTALDH1A1HTT
SCHEMBL5069814 0.75 KDM4E (0.50) KDM4ELMNAMAPTALDH1A1SMN1; SMN2

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-115648775-A High-barrier packaging film and preparation method thereof 江苏利特尔绿色包装股份有限公司 2023-01-31 CN disclosed