SCHEMBL6854761

SCHEMBL6854761

Cc1cn([C@@]2(c3ccc([N+](=O)[O-])cc3)C[C@H](OP(=O)(O)O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.41
TK1 P04183 3/20 0.38
RNASE1 P07998 1/20 0.36
TYMP P19971 4/20 0.35
ALB P02768 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
TSHR P16473 1/20 0.35

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
Phosphoric Acid SCHEMBL548541 0.89 TYMS (0.42) TYMSTK1TYMP
SCHEMBL1255499 0.88 TK1 (0.40) TYMSTK1RNASE1TYMPALB
SCHEMBL2543584 0.87 TYMS (0.39) TYMSTK1
SCHEMBL548543 0.85 TYMS (0.52) TYMSTK1
SCHEMBL28475424 0.82 TYMS (0.45) TYMSTK1
SCHEMBL28641784 0.74 TK1 (0.41) TK1RNASE1TYMPALBPKM
SCHEMBL8170912 0.74 TK1 (0.34) TK1RNASE1TYMP
SCHEMBL27508379 0.73 TK1 (0.39) TK1ALBPKMLMNABLM
SCHEMBL31051631 0.72 TK1 (0.42) TK1TYMPALBPKMLMNA
SCHEMBL9947616 0.72 TYMS (0.38) TYMSTK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787327-B2 ENCODED BY ISOLATED NUCLEIC ACID; HIGH THROUGHPUT ENZYMATIC ASSAY; SCREENING FOR MODULATORS OF ENZYMATIC ACTIVITY KELK GRADUATE OF APPLIED LIFE SCIENCES 2004-09-07 US claimed
US-20030124587-A1 Human tyrosine-DNA phosphodiesterase variant polypeptides and methods of use therefor KECK GRADUATE INSTITUTE OF APPLIED LIFE SCIENCES 2003-07-03 US claimed
WO-2003031579-A2 HUMAN TYROSINE-DNA PHOSPHODIESTERASE VARIANT POLYPEPTIDES AND METHODS OF USE THEREFOR KECK GRADUATE INSTITUTE OF APPLIED LIFE SCIENCES (US) 2003-04-17 WO claimed
US-6787327-B2 ENCODED BY ISOLATED NUCLEIC ACID; HIGH THROUGHPUT ENZYMATIC ASSAY; SCREENING FOR MODULATORS OF ENZYMATIC ACTIVITY KELK GRADUATE OF APPLIED LIFE SCIENCES 2004-09-07 US disclosed
US-20030124587-A1 Human tyrosine-DNA phosphodiesterase variant polypeptides and methods of use therefor KECK GRADUATE INSTITUTE OF APPLIED LIFE SCIENCES 2003-07-03 US disclosed
WO-2003031579-A2 HUMAN TYROSINE-DNA PHOSPHODIESTERASE VARIANT POLYPEPTIDES AND METHODS OF USE THEREFOR KECK GRADUATE INSTITUTE OF APPLIED LIFE SCIENCES (US) 2003-04-17 WO disclosed