SCHEMBL5774928

SCHEMBL5774928

CC(C)(C)OC(=O)N1CCc2nc(COCCN3CCOCC3)ncc2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
HSP90AA1 P07900 4/20 0.49
ESR2 Q92731 1/20 0.40
MTOR P42345 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
NR1H2 P55055 1/20 0.37
CYP11B2 P19099 1/20 0.37
ABHD6 Q9BV23 1/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
PDGFRB P09619 1/20 0.35

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
SCHEMBL5777878 0.87 MAPT (0.58) MAPTHSP90AA1ESR2MTORDDB1
SCHEMBL6288255 0.87 HSP90AA1 (0.51) HSP90AA1CYP11B2KDM4E
SCHEMBL21528039 0.79 MAPT (0.63) MAPTHSP90AA1ESR2DDB1CRBN
SCHEMBL30805586 0.79 MAPT (0.63) MAPTHSP90AA1ESR2DDB1CRBN
SCHEMBL21528090 0.78 MAPT (0.62) MAPTHSP90AA1ESR2DDB1CRBN
SCHEMBL5774718 0.78 MAPT (0.57) MAPTHSP90AA1ESR2DDB1CRBN
SCHEMBL1017921 0.78 MAPT (0.77) MAPTHSP90AA1MTORUSP2SMN1; SMN2
SCHEMBL21528088 0.76 MAPT (0.68) MAPTHSP90AA1
SCHEMBL30405628 0.76 MAPT (0.68) MAPTHSP90AA1
SCHEMBL30405728 0.76 MAPT (0.68) MAPTHSP90AA1

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-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed