SCHEMBL13412992

SCHEMBL13412992

O=C(NCCCc1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]c1=O)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.64
TK2 O00142 1/20 0.64
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALOX12 P18054 1/20 0.60
ADRA1A P35348 1/20 0.60
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL6737955 1.00 TK1 (0.64) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL6737951 1.00 TK1 (0.64) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL8167217 0.96 TK1 (0.62) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL7877862 0.91 TK1 (0.58) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL7877854 0.91 TK1 (0.58) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL12060321 0.89 LMNA (0.64) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL13082855 0.89 LMNA (0.64) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL4061948 0.87 TK2 (0.49) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL1006890 0.87 TK1 (0.67) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL1356100 0.87 TK1 (0.67) 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
US-7674778-B2 Oligonucleotides comprising a conjugate group linked through a C5-modified pyrimidine ALNYLAM PHARMACEUTICALS (US) 2010-03-09 US disclosed
US-7674778-B2 Oligonucleotides comprising a conjugate group linked through a C5-modified pyrimidine ALNYLAM PHARMACEUTICALS (US) 2010-03-09 US disclosed