SCHEMBL7643469

SCHEMBL7643469

Cc1cn([C@@H]2O[C@H](COC(=O)OCCc3c(Cl)cccc3[N+](=O)[O-])C(O)C2O)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.41
P2RY6 Q15077 4/20 0.39
P2RY14 Q15391 2/20 0.39
DNPH1 O43598 1/20 0.39
BCHE P06276 1/20 0.37
TK2 O00142 2/20 0.37
P2RY2 P41231 1/20 0.36

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
SCHEMBL7644426 0.95 DNPH1 (0.41) P2RY6P2RY14DNPH1BCHETK2
SCHEMBL7643984 0.91 PYGM (0.41) PYGMP2RY6P2RY14DNPH1BCHE
SCHEMBL7644537 0.91 P2RY6 (0.41) P2RY6P2RY14DNPH1BCHETK2
SCHEMBL7646618 0.90 PYGM (0.41) PYGMP2RY6P2RY14DNPH1TK2
SCHEMBL7644912 0.88 DNPH1 (0.41) P2RY6P2RY14DNPH1TK2P2RY2
SCHEMBL7648514 0.87 TK2 (0.43) PYGMTK2
SCHEMBL13666500 0.87 BCHE (0.47) BCHE
SCHEMBL8718682 0.87 BCHE (0.47) BCHE
SCHEMBL7643467 0.87 BCHE (0.47) BCHE
SCHEMBL7643479 0.85 SLC29A1 (0.40) PYGMP2RY6P2RY14DNPH1TK2

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
EP-0797580-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2002-04-10 EP disclosed