SCHEMBL7064128

SCHEMBL7064128

O=[N+]([O-])c1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
INPPL1 O15357 7/20 0.55
INPP5A Q14642 3/20 0.55
INPP5B P32019 1/20 0.52
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
AKT1 P31749 1/20 0.47
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
AKR1C3 P42330 1/20 0.44
PKM P14618 1/20 0.42
GPR35 Q9HC97 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 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
SCHEMBL6041202 0.86 CA1 (0.57) CA1CA2INPPL1INPP5ACES2
SCHEMBL6041195 0.86 CA1 (0.57) CA1CA2INPPL1INPP5ACES2
SCHEMBL4816746 0.85 CA1 (0.56) CA1CA2INPPL1INPP5AINPP5B
SCHEMBL8900704 0.85 CA1 (0.56) CA1CA2INPPL1INPP5AINPP5B
SCHEMBL1134003 0.85 CA1 (0.56) CA1CA2CES2CES1PKM
SCHEMBL4823831 0.85 CA1 (0.56) CA1CA2INPPL1INPP5AINPP5B
SCHEMBL4535386 0.85 CA1 (0.56) CA1CA2CES2CES1PKM
SCHEMBL13980850 0.85 CA1 (0.56) CA1CA2INPPL1INPP5AINPP5B
SCHEMBL28734906 0.83 CA1 (0.54) CA1CA2CES2CES1PKM
SCHEMBL1525906 0.82 CA1 (0.53) CA1CA2INPPL1INPP5AINPP5B

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-20030039964-A1 Method DIATECH PTY LTD (AU) 2003-02-27 US disclosed
WO-2001085988-A1 METHODS FOR DETECTING NUCLEIC ACID MOLECULES HAVING PARTICULAR NUCLEOTIDE SEQUENCES DIATECH PTY. LTD. (AU) 2001-11-15 WO disclosed