SCHEMBL4426730

SCHEMBL4426730

CC(COCc1cn([C@@H]2CC(O)[C@H](CO)O2)c(=O)[nH]c1=O)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.52
TK2 O00142 1/20 0.52
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX12 P18054 1/20 0.47
ADRA1A P35348 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
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
SCHEMBL888025 0.90 TK1 (0.57) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL12570185 0.90 TK1 (0.57) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL888026 0.90 TK1 (0.57) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL889665 0.90 TK1 (0.57) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL888051 0.87 TK1 (0.57) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL1668428 0.86 TK1 (0.58) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL12570191 0.83 TK1 (0.54) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL16268228 0.83 TK1 (0.52) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL888050 0.83 TK1 (0.54) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL888052 0.83 TK1 (0.54) TK1TK2LMNASMN1; SMN2ALOX12

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-2125856-A2 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING Lasergen, Inc. (US) 2009-12-02 EP disclosed
WO-2008070749-A2 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2008-06-12 WO disclosed