SCHEMBL7046248

SCHEMBL7046248

CCOC(=NNc1ccccc1)C(=O)C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.57
LMNA P02545 5/20 0.57
ALDH1A1 P00352 5/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.52
MAPT P10636 8/20 0.47
MAPK1 P28482 3/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
RECQL P46063 1/20 0.44
KYAT1 Q16773 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL7050413 0.83 GAA (0.49) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL7041161 0.81 GAA (0.52) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL6786789 0.79 GAA (0.60) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL14668519 0.79 GAA (0.60) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL6786787 0.79 GAA (0.60) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL10141247 0.78 GAA (0.63) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL11753054 0.78 GAA (0.63) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL9974840 0.77 ALDH1A1 (0.58) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL27938928 0.77 ALDH1A1 (0.58) GAALMNAALDH1A1NPSR1HPGD
SCHEMBL13901608 0.75 GAA (0.63) GAALMNAALDH1A1NPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054667-B1 BICYCLIC PYRROLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIINFLAMMATORY AND IMMUNOMODULATING AGENTS ASTRAZENECA UK LTD (GB) 2003-04-16 EP disclosed
US-6291507-B1 INHIBITOR OF MONOCYTE CHEMOATTRACTANT PROTEIN-1; INDOLE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-09-18 US disclosed
EP-1054667-A1 BICYCLIC PYRROLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIINFLAMMATORY AND IMMUNOMODULATING AGENTS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999040913-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed