SCHEMBL8128306

SCHEMBL8128306

CCN1C(=O)CCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.61
CYP1A2 P05177 2/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2B Q13224 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
CASP6 P55212 2/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ADRA2A P08913 2/20 0.44
PNMT P11086 2/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
GAA P10253 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 4/20 0.43

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
SCHEMBL20162398 0.89 GRIN1 (0.54) ATAD2CYP1A2GRIN1GRIN2BCYP11B1
SCHEMBL10152051 0.89 GRIN1 (0.50) ATAD2CYP1A2GRIN1GRIN2BCYP11B1
SCHEMBL4106672 0.87 GAA (0.53) ATAD2CYP1A2GRIN1GRIN2BSIRT2
SCHEMBL14049826 0.87 GRIN1 (0.57) ATAD2GRIN1GRIN2BSIRT2CASP6
SCHEMBL18421287 0.86 GRIN1 (0.52) ATAD2CYP1A2GRIN1GRIN2BCYP11B1
SCHEMBL18421420 0.85 GRIN1 (0.51) ATAD2GRIN1GRIN2BSIRT2CASP6
SCHEMBL2676069 0.84 SIRT2 (0.51) ATAD2GRIN1GRIN2BSIRT2CASP6
SCHEMBL2675072 0.83 NOS3 (0.49) ATAD2GRIN1GRIN2BSIRT2CASP6
SCHEMBL2675597 0.83 GRIN1 (0.51) ATAD2GRIN1GRIN2BSIRT2CASP6
SCHEMBL18422001 0.82 GRIN2B (0.47) ATAD2GRIN1GRIN2BSIRT2CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049692-A1 NOVEL BICYCLENE-SUBSTITUTED OXAZOLIDINONES Bayer Aktiengesellschaft (DE) 2000-11-08 EP disclosed
WO-1999037641-A1 NOVEL BICYCLENE-SUBSTITUTED OXAZOLIDINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-07-29 WO disclosed