SCHEMBL4563254

SCHEMBL4563254

O=c1[nH]c(=O)n([C@@H]2CC(O)[C@H](CO)O2)cc1COCCc1ccc(I)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.54
TK2 O00142 1/20 0.54
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALOX12 P18054 1/20 0.46
ADRA1A P35348 1/20 0.46
TYMS P04818 1/20 0.46

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
SCHEMBL888044 1.00 TK1 (0.54) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL888187 0.94 TK1 (0.55) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL889597 0.94 TK1 (0.55) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL888189 0.94 TK1 (0.55) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL12570196 0.94 TK1 (0.55) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL888051 0.89 TK1 (0.57) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL4429070 0.86 TK1 (0.49) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL889605 0.84 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL14665814 0.84 TK1 (0.51) TK1TK2LMNASMN1; SMN2CYP1A2
SCHEMBL888043 0.84 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 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