SCHEMBL6514624

SCHEMBL6514624

COc1ccc(C(NC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(N)(=O)O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.47
TK1 P04183 3/20 0.46
DUT P33316 2/20 0.46
TYMS P04818 1/20 0.45

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
Phosphoramidic Acid SCHEMBL6514620 0.89 DUT (0.57) DUTTYMS
SCHEMBL152181 0.87 RNASE1 (0.48) RNASE1DUT
SCHEMBL2561711 0.86 DUT (0.62) TK1DUT
SCHEMBL22819137 0.86 DUT (0.49) RNASE1TK1DUT
SCHEMBL2561714 0.86 DUT (0.62) TK1DUT
SCHEMBL4948200 0.86 DUT (0.62) TK1DUT
SCHEMBL13589375 0.86 DUT (0.62) TK1DUT
SCHEMBL152180 0.84 DUT (0.58) DUT
SCHEMBL9341952 0.83 RNASE1 (0.46) RNASE1DUT
SCHEMBL21489369 0.82 RNASE1 (0.50) RNASE1TK1TYMS

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-20050065333-A1 Breast cancer-associated genes and uses thereof SETH ARUN (CA) 2005-03-24 US disclosed