SCHEMBL6836077

SCHEMBL6836077

Cc1cn([C@H]2C[C@H](OC(=O)OCC(C)c3cc(I)ccc3[N+](=O)[O-])[C@@H](COC(=O)OCC(C)c3cc(I)ccc3[N+](=O)[O-])O2)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.45
ABCG2 Q9UNQ0 3/20 0.39
ABCB1 P08183 1/20 0.39
TK1 P04183 3/20 0.38

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
SCHEMBL6834245 0.94 RNASE1 (0.53) RNASE1TK1
SCHEMBL6834246 0.94 RNASE1 (0.53) RNASE1TK1
SCHEMBL6834133 0.92 RNASE1 (0.45) RNASE1ABCG2ABCB1TK1
SCHEMBL6830885 0.92 RNASE1 (0.45) RNASE1ABCG2ABCB1TK1
SCHEMBL6833513 0.92 POLB (0.45)
SCHEMBL13666506 0.92 POLB (0.45)
SCHEMBL6833515 0.92 POLB (0.45)
SCHEMBL7643615 0.90 RNASE1 (0.51) RNASE1ABCG2ABCB1TK1
SCHEMBL6891019 0.86 POLB (0.45)
SCHEMBL7262901 0.86 POLB (0.45)

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-6750335-B2 NUCLEOSIDE FOR USE IN THE GENERATION OF PREFERENTIAL OLIGONUCEOTIDES NIGU CHEMIE GMBH (DE) 2004-06-15 US disclosed
EP-1224198-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2003-04-23 EP disclosed