SCHEMBL19257797

SCHEMBL19257797

BOP(=O)(O)O[C@H]1C[C@@H](n2cc(CC)c(=O)[nH]c2=O)OC1CO

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.54
TK2 O00142 1/20 0.54
RNASE1 P07998 1/20 0.48
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALB P02768 1/20 0.45
PKM P14618 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
TSHR P16473 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
SCHEMBL19486372 0.89 TK1 (0.62) TK1RNASE1LMNAALBPKM
SCHEMBL31685425 0.83 TK1 (0.54) TK1TK2RNASE1LMNASMN1; SMN2
SCHEMBL3388279 0.83 TK1 (0.62) TK1TK2RNASE1LMNASMN1; SMN2
SCHEMBL9780588 0.83 TK1 (0.62) TK1TK2RNASE1LMNASMN1; SMN2
SCHEMBL3388282 0.83 TK1 (0.62) TK1TK2RNASE1LMNASMN1; SMN2
SCHEMBL9780593 0.83 TK1 (0.62) TK1TK2RNASE1LMNASMN1; SMN2
SCHEMBL3388209 0.83 TK1 (0.62) TK1TK2RNASE1LMNASMN1; SMN2
SCHEMBL10594581 0.81 RNASE1 (0.59) TK1TK2RNASE1LMNASMN1; SMN2
SCHEMBL10594576 0.81 RNASE1 (0.59) TK1TK2RNASE1LMNASMN1; SMN2
Edoxudine SCHEMBL11345587 0.80 TK1 (0.78) TK1TK2LMNASMN1; SMN2BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732344-B2 RNA interference mediated inhibition of gene expression using chemically modified short interfering nucleic acid (siNA) SIRNA THERAPEUTICS, INC. (US) 2017-08-15 US disclosed