SCHEMBL8607065

SCHEMBL8607065

O=P(O)(O)c1cncc(P(=O)(O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ PGK1 P00558 3/20 0.36
▸ PGK2 P07205 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DDO Q99489 1/20 0.33
▸ FDPS P14324 2/20 0.31
▸ INPPL1 O15357 2/20 0.31
▸ INPP5A Q14642 2/20 0.31
▸ INPP5B P32019 1/20 0.31
▸ FBP1 P09467 1/20 0.31

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
SCHEMBL20379784 0.78 CA2 (0.53) CA2CA4CA5APGK1PGK2
SCHEMBL11302336 0.78 CA2 (0.42) CA2CA4CA5APGK1PGK2
SCHEMBL31193662 0.70 CA2 (0.52) CA2CA4CA5AALDH1A1FDPS
SCHEMBL3001998 0.70 CA2 (0.52) CA2CA4CA5AALDH1A1FDPS
SCHEMBL6262029 0.69 CA2 (0.65) CA2CA4CA5APGK1PGK2
SCHEMBL20379768 0.67 CA2 (0.42) CA2CA4CA5APGK1PGK2
SCHEMBL31130721 0.67 CA2 (0.42) CA2CA4CA5APGK1PGK2
SCHEMBL20379773 0.67 MMP1 (0.33) CA2CA4CA5APGK1PGK2
SCHEMBL20379839 0.67 CA2 (0.42) CA2CA4CA5APGK1PGK2
SCHEMBL20379807 0.67 CA2 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716964-A BRAIN DISORDERS; ANTIISCHEMIC AGENTS G.D. SEARLE & CO. (US) 1998-02-10 — — US disclosed
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