SCHEMBL9059986

SCHEMBL9059986

CCCCN(C)c1nc2nc[nH]c2c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.55
POLA1 P09884 1/20 0.48
PNP P00491 1/20 0.47
HTT P42858 1/20 0.44
NCOA1 Q15788 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
PDE5A O76074 1/20 0.44
GDA Q9Y2T3 1/20 0.43
PDE4A P27815 1/20 0.42
ADORA2A P29274 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41

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
SCHEMBL7809886 0.84 XDH (0.57) XDHPOLA1PNPHTTNCOA1
SCHEMBL2732874 0.83 XDH (0.52) XDHPOLA1PNPHTTNCOA1
SCHEMBL27762591 0.81 XDH (0.50) XDHPOLA1PNPHTTNCOA1
SCHEMBL27617650 0.80 POLA1 (0.45) POLA1PNPPDE5AALDH1A1GRIA1
SCHEMBL595204 0.79 PNP (0.57) XDHPNPGDAALDH1A1GRIA1
Hydrochloric Acid SCHEMBL17186227 0.78 PNP (0.56) XDHPNPGDAALDH1A1GRIA1
Hydrochloric Acid SCHEMBL17186358 0.78 PNP (0.56) XDHPNPGDAALDH1A1GRIA1
SCHEMBL5133747 0.77 PDE5A (0.51) XDHPOLA1PNPPDE5AGDA
SCHEMBL9275484 0.77 PNP (0.48) XDHPOLA1PNPPDE5AGDA
SCHEMBL27718742 0.76 PDE9A (0.51) PNPPDE5A

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
US-8206593-B2 Adapted for on-chip solvent exchange; synthesis of radiopharmaceuticals such as FDG (fludeoxyglucose F18) for example FLUIDIGM CORPORATION (US) 2012-06-26 US disclosed
WO-1996022098-A1 USE OF ACYCLIC PURINE DERIVATIVES FOR TREATING RESTENOSIS THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-25 WO disclosed