SCHEMBL4426013

SCHEMBL4426013

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 6/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 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
SCHEMBL4425369 0.95 LMNA (0.41) LMNASMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL3868192 0.83 L3MBTL1 (0.45) LMNASMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL3640667 0.83 KDM4E (0.52) LMNASMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL10546656 0.79 KDM4E (0.43) LMNASMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL12996132 0.79 KDM4E (0.52) LMNASMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL167490 0.77 KDM4E (0.59) LMNASMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL30050527 0.77 KDM4E (0.59) LMNASMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL10544722 0.75 KDM4E (0.43) LMNASMN1; SMN2L3MBTL1KDM4EHPGD
SCHEMBL10877348 0.73 LMNA (0.48) LMNASMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL168649 0.73 KDM4E (0.57) LMNASMN1; SMN2L3MBTL1GAAKDM4E

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
EP-2052611-A1 Herbicide combination Bayer CropScience AG (DE) 2009-04-29 EP disclosed