SCHEMBL3868192

SCHEMBL3868192

O=C(O)C(Oc1cc(Cl)cc2cccnc12)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.45
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
SLC40A1 Q9NP59 1/20 0.43
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PDE4D Q08499 3/20 0.41
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
HSP90AA1 P07900 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4426013 0.83 LMNA (0.44) L3MBTL1LMNASMN1; SMN2GAAHSP90AA1
SCHEMBL10877348 0.81 LMNA (0.48) L3MBTL1LMNASMN1; SMN2GAASLC40A1
SCHEMBL4425369 0.80 LMNA (0.41) L3MBTL1LMNASMN1; SMN2GAAHSP90AA1
SCHEMBL365374 0.74 DYRK1A (0.50) L3MBTL1LMNASMN1; SMN2GAASLC40A1
SCHEMBL168947 0.73 KDM4E (0.62) L3MBTL1LMNASMN1; SMN2GAAMETAP2
SCHEMBL744645 0.73 ALDH1A1 (0.53) L3MBTL1LMNASMN1; SMN2SLC40A1PDE4D
SCHEMBL12996132 0.72 KDM4E (0.52) L3MBTL1LMNASMN1; SMN2GAASLC40A1
SCHEMBL10545410 0.70 PARP1 (0.42) L3MBTL1LMNASMN1; SMN2GAASLC40A1
SCHEMBL1831195 0.69 KDM4E (0.39) L3MBTL1SMN1; SMN2GAAHSP90AA1MEN1
SCHEMBL364531 0.69 KDM4E (0.57) L3MBTL1LMNASMN1; SMN2SLC40A1METAP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2052604-A1 Salts of 2-lodo-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl] benzol sulphonamide, method for its manufacture and its application as herbicide and plant growth regulator Bayer CropScience AG (DE) 2009-04-29 EP disclosed
EP-1925203-A1 Herbicidal combinations comprising amidosulfuron and a pyridine-herbicide Bayer CropScience AG (DE) 2008-05-28 EP disclosed