SCHEMBL4730282

SCHEMBL4730282

[CH2]c1cc(P(=O)(O)O)cs1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.38
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ INPPL1 O15357 1/20 0.31
▸ INPP5B P32019 1/20 0.31
▸ INPP5A Q14642 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL4730284 0.73 DAO (0.43) FBP1CA2CA4CA5AALDH1A1
SCHEMBL20379784 0.65 CA2 (0.53) FBP1CA2CA4CA5AINPPL1
SCHEMBL9308637 0.62 — —
SCHEMBL3247756 0.60 CA2 (0.55) CA2CA4CA5AALDH1A1TDP1
SCHEMBL2171752 0.59 CA2 (0.71) CA2CA4CA5AALDH1A1TDP1
SCHEMBL4784505 0.59 CA2 (0.36) CA2CA4CA5A
SCHEMBL4729611 0.59 CA2 (0.52) FBP1CA2CA4CA5AALDH1A1
SCHEMBL6262029 0.57 CA2 (0.65) FBP1CA2CA4CA5AALDH1A1
Phenylphosphonic Acid SCHEMBL10702857 0.57 CA2 (0.94) CA2CA4CA5AALDH1A1TDP1
SCHEMBL6395721 0.57 BACE1 (0.47) CA2CA4CA5AINPPL1INPP5B

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
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