SCHEMBL7645972

SCHEMBL7645972

Cc1cn([C@@H]2O[C@H](COC(=O)OCC(Cl)c3ccccc3[N+](=O)[O-])C(O)C2O)c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 4/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
DNPH1 O43598 1/20 0.38
PYGM P11217 1/20 0.37
TK2 O00142 2/20 0.37
P2RY6 Q15077 2/20 0.36
P2RY14 Q15391 2/20 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
SCHEMBL6891984 0.92 DNPH1 (0.38) P2RY2ALDH1A1HTTDNPH1TK2
SCHEMBL7647603 0.90 TK2 (0.38) P2RY2DNPH1TK2P2RY6
SCHEMBL7644973 0.87 TK2 (0.44) P2RY2PYGMTK2
SCHEMBL8722091 0.86 POLB (0.47)
SCHEMBL7645970 0.86 POLB (0.47)
SCHEMBL7644590 0.85 DNPH1 (0.42) P2RY2ALDH1A1HTTDNPH1TK2
SCHEMBL7052187 0.84 PYGM (0.38) P2RY2DNPH1PYGMTK2P2RY6
SCHEMBL7644912 0.84 DNPH1 (0.41) P2RY2DNPH1TK2P2RY6P2RY14
SCHEMBL6891122 0.84 P2RY6 (0.38) P2RY2DNPH1P2RY6P2RY14
SCHEMBL7646599 0.84 RNASE1 (0.50)

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