SCHEMBL1553980

SCHEMBL1553980

CCNC(=O)Nc1ncc(-c2ccc(C(=O)OC)cn2)cc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
MAPK1 P28482 3/20 0.40
HPGDS O60760 1/20 0.39
ABL1 P00519 3/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIM1 P11309 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL1553047 0.84 LDHA (0.45) MAPK1ABL1MAPTSMN1; SMN2KDM4E
SCHEMBL1553979 0.81
SCHEMBL1553394 0.71 CYP2C9 (0.46) GAAMAPTSMN1; SMN2KDM4E
SCHEMBL29598250 0.70 MAPK1 (0.61) MAPK1HPGDSMAPTSMN1; SMN2KDM4E
SCHEMBL1553290 0.70 ABL1 (0.54) MAPK1ABL1PIM1AURKB
SCHEMBL4909766 0.70 GAA (0.42) GAAABL1MAPTKDM4E
SCHEMBL29651074 0.70 MAPK1 (0.69) MAPK1HPGDSMAPTKDM4EL3MBTL1
SCHEMBL29651058 0.70 MAPK1 (0.69) MAPK1HPGDSMAPTKDM4EL3MBTL1
SCHEMBL70712 0.70 MAPK1 (0.69) MAPK1HPGDSMAPTKDM4EL3MBTL1
SCHEMBL1553044 0.69 HCAR3 (0.56)

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-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP disclosed