SCHEMBL10178059

SCHEMBL10178059

CC(C)[C@@H](OCc1cn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O)c1ccc(I)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.51
TK2 O00142 1/20 0.50
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TYMS P04818 1/20 0.43
ALOX12 P18054 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL2064678 1.00 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL889538 1.00 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL14680016 1.00 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL889611 1.00 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL888090 1.00 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL888088 1.00 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL12570205 1.00 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL2064682 1.00 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL14665814 0.93 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL888043 0.93 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200319-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2015-12-01 US disclosed
US-20150140559-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2015-05-21 US disclosed
US-8148503-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2012-04-03 US disclosed