SCHEMBL7644169

SCHEMBL7644169

Cc1cn([C@H]2C[C@H](OC(=O)OCCc3c(F)cccc3[N+](=O)[O-])[C@@H](COC(=O)OCCc3c(F)cccc3[N+](=O)[O-])O2)c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.48
TK1 P04183 5/20 0.41
ABCG2 Q9UNQ0 3/20 0.40
ABCB1 P08183 1/20 0.40
BCHE P06276 1/20 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
SCHEMBL7644410 0.94 RNASE1 (0.56) RNASE1TK1
SCHEMBL8723685 0.94 RNASE1 (0.56) RNASE1TK1
SCHEMBL7645962 0.91 RNASE1 (0.48) RNASE1TK1ABCG2ABCB1
SCHEMBL7648735 0.91 RNASE1 (0.48) RNASE1TK1ABCG2ABCB1
SCHEMBL7644534 0.91 BCHE (0.47) TK1BCHE
SCHEMBL8721564 0.91 BCHE (0.47) TK1BCHE
SCHEMBL8718687 0.86 BCHE (0.50) TK1BCHE
SCHEMBL7644420 0.86 BCHE (0.50) TK1BCHE
SCHEMBL7644753 0.85 RNASE1 (0.45) RNASE1TK1ABCG2ABCB1
SCHEMBL7648511 0.85 RNASE1 (0.56) RNASE1TK1

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
EP-0797580-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2002-04-10 EP disclosed
US-5763599-A FOR LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON DNA CHIP Pfleiderer, Wolfgang (DE) 1998-06-09 US disclosed