SCHEMBL4729611

SCHEMBL4729611

[CH2]c1cccc(P(=O)(O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA5A P35218 1/20 0.52
PGK1 P00558 8/20 0.48
PGK2 P07205 8/20 0.48
GRIK1 P39086 1/20 0.42
FBP1 P09467 2/20 0.41
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CFTR P13569 1/20 0.37
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6262029 0.83 CA2 (0.65) CA2CA4CA5APGK1PGK2
SCHEMBL12353499 0.76 GRIK1 (0.62) CA2CA4CA5APGK1PGK2
SCHEMBL4954253 0.74 CA2 (0.54) CA2CA4CA5APGK1PGK2
SCHEMBL3355826 0.73 CA2 (0.52) CA2CA4CA5APGK1PGK2
SCHEMBL31467547 0.73 PGK1 (0.53) CA2CA4CA5APGK1PGK2
SCHEMBL4126405 0.73 PGK1 (0.53) CA2CA4CA5APGK1PGK2
SCHEMBL916920 0.73 PGK1 (0.53) CA2CA4CA5APGK1PGK2
SCHEMBL342414 0.73 CA2 (0.52) CA2CA4CA5APGK1PGK2
SCHEMBL14097219 0.73 CA2 (0.52) CA2CA4CA5APGK1PGK2
SCHEMBL30586458 0.73 PGK1 (0.53) CA2CA4CA5APGK1PGK2

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
WO-2008031888-A2 CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS CAMPIANI GIUSEPPE (IT) 2008-03-20 WO claimed
WO-2008031888-A2 CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS CAMPIANI GIUSEPPE (IT) 2008-03-20 WO disclosed