SCHEMBL7646599

SCHEMBL7646599

Cc1cn([C@H]2C[C@H](OC(=O)OCC(Cl)c3ccccc3[N+](=O)[O-])[C@@H](COC(=O)OCC(Cl)c3ccccc3[N+](=O)[O-])O2)c(=O)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.50
ABCG2 Q9UNQ0 3/20 0.40
ABCB1 P08183 1/20 0.40
TK1 P04183 3/20 0.40

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
SCHEMBL8719327 0.93 RNASE1 (0.59) RNASE1TK1
SCHEMBL7644968 0.93 RNASE1 (0.59) RNASE1TK1
SCHEMBL7643615 0.92 RNASE1 (0.51) RNASE1ABCG2ABCB1TK1
SCHEMBL8722091 0.91 POLB (0.47)
SCHEMBL7645970 0.91 POLB (0.47)
SCHEMBL6572381 0.85 RNASE1 (0.59) RNASE1TK1
SCHEMBL6573680 0.85 RNASE1 (0.59) RNASE1TK1
SCHEMBL6834133 0.85 RNASE1 (0.45) RNASE1ABCG2ABCB1TK1
SCHEMBL7644538 0.84 RNASE1 (0.58) RNASE1TK1
SCHEMBL8722179 0.84 RNASE1 (0.58) 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