SCHEMBL6830784

SCHEMBL6830784

COc1ccc(C(O[C@@H](CC#N)[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O[PH](O)(CCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.39
TK1 P04183 7/20 0.35
NT5M Q9NPB1 1/20 0.35
TK2 O00142 2/20 0.34

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
SCHEMBL3290516 0.87 RNASE1 (0.43) RNASE1TK1TK2
SCHEMBL2594578 0.84 RNASE1 (0.42) RNASE1TK1TK2
SCHEMBL2710682 0.84 RNASE1 (0.42) RNASE1
SCHEMBL6830778 0.83 RNASE1 (0.36) RNASE1TK1TK2
SCHEMBL6832147 0.83 TK1 (0.47) TK1
SCHEMBL6830123 0.82 TOP2A (0.40) RNASE1TK1TK2
SCHEMBL2034479 0.81 RNASE1 (0.38) RNASE1TK1TK2
SCHEMBL6830791 0.80 NT5M (0.33) RNASE1TK1NT5MTK2
SCHEMBL8027668 0.78 RNASE1 (0.41) RNASE1TK1TK2
SCHEMBL6830104 0.77 TK1 (0.34) RNASE1TK1TK2

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
US-6743902-B1 FOR USE IN ANTISENSE THERAPY FOR ENHANCING NUCLEASE RESISTANCE AND CELLULAR UPTAKE VALEANT PHARMACEUTICALS INTERNATIONAL 2004-06-01 US disclosed