SCHEMBL7048252

SCHEMBL7048252

Cc1cn([C@@H]2O[C@H](COC(=O)OCC(C)c3cc(I)ccc3[N+](=O)[O-])C(O)C2O)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 6/20 0.38
P2RY14 Q15391 4/20 0.38
PYGM P11217 1/20 0.38
DNPH1 O43598 1/20 0.36
TK2 O00142 2/20 0.36
P2RY2 P41231 1/20 0.36
TERT O14746 1/20 0.35
NT5E P21589 1/20 0.35

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
SCHEMBL6891021 0.94 P2RY6 (0.38) P2RY6P2RY14PYGMDNPH1TK2
SCHEMBL7051060 0.92 TERT (0.40) P2RY6P2RY14DNPH1TK2P2RY2
SCHEMBL7053416 0.91 PYGM (0.38) P2RY6P2RY14PYGMDNPH1TK2
SCHEMBL7052187 0.91 PYGM (0.38) P2RY6P2RY14PYGMDNPH1TK2
SCHEMBL6891984 0.89 DNPH1 (0.38) P2RY6P2RY14DNPH1TK2P2RY2
SCHEMBL7055027 0.88 TK2 (0.42) PYGMTK2
SCHEMBL6833515 0.87 POLB (0.45)
SCHEMBL13666506 0.87 POLB (0.45)
SCHEMBL6833513 0.87 POLB (0.45)
SCHEMBL6892659 0.87 PYGM (0.38) P2RY6P2RY14PYGMDNPH1TK2

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-1224198-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2003-04-23 EP disclosed