SCHEMBL5774718

SCHEMBL5774718

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
ESR2 Q92731 1/20 0.45
NR1H2 P55055 1/20 0.42
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
PDGFRB P09619 1/20 0.39
GPR119 Q8TDV5 8/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90B1 P14625 1/20 0.38
SCN9A Q15858 1/20 0.37
GCK P35557 2/20 0.37
MAPK1 P28482 1/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL6282952 0.86 HSP90AA1 (0.40) MAPTPDGFRBHSP90AA1HSP90B1ENPP2
SCHEMBL21528039 0.85 MAPT (0.63) MAPTESR2NR1H2DDB1CRBN
SCHEMBL30805586 0.85 MAPT (0.63) MAPTESR2NR1H2DDB1CRBN
SCHEMBL21528090 0.84 MAPT (0.62) MAPTESR2NR1H2DDB1CRBN
SCHEMBL786189 0.81 MAPT (0.65) MAPTESR2NR1H2DDB1CRBN
SCHEMBL29421798 0.81 ESR2 (0.47) MAPTESR2NR1H2GPR119GCK
SCHEMBL23301570 0.80 ESR2 (0.54) MAPTESR2NR1H2GPR119SCN9A
SCHEMBL29723003 0.80 ESR2 (0.51) MAPTESR2NR1H2GPR119SCN9A
SCHEMBL29712337 0.80 ESR2 (0.54) MAPTESR2NR1H2GPR119SCN9A
SCHEMBL18550268 0.79 MAPT (0.59) MAPTESR2NR1H2DDB1CRBN

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