SCHEMBL2487474

SCHEMBL2487474

O=C(O)Oc1nc(C2CC2)[nH]c(=O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.35
POLB P06746 1/20 0.33
ADORA1 P30542 2/20 0.33
TMIGD3 P0DMS9 1/20 0.33
CCNE2 O96020 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
PDE2A O00408 1/20 0.31
PARP1 P09874 1/20 0.30
NPY5R Q15761 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TYK2 P29597 1/20 0.30
PARG Q86W56 1/20 0.30

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
SCHEMBL1535572 0.76 TDP1 (0.40) ROCK2POLBADORA1TMIGD3CCNE2
SCHEMBL20241760 0.74 POLB (0.38) ROCK2POLBADORA1TMIGD3CCNE2
SCHEMBL934741 0.73 PDE10A (0.43)
SCHEMBL2484820 0.68 PDE2A (0.41) PDE2A
SCHEMBL2469161 0.68 TDP1 (0.34)
SCHEMBL2464647 0.68 PDE10A (0.42)
SCHEMBL2465756 0.66 POLB (0.38) POLBALDH1A1HPGDNPSR1
SCHEMBL3028035 0.65 ROCK2 (0.35) ROCK2POLBADORA1PDE2APARP1
SCHEMBL985480 0.65 TDP1 (0.53)
SCHEMBL2469819 0.65

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-1694651-B1 HERBICIDAL PYRIMIDINES DU PONT (US) 2011-10-19 EP claimed