SCHEMBL6538817

SCHEMBL6538817

Cc1cn([C@H]2CC[C@@H](COP(=O)(O)C(F)(F)P(=O)(O)O)O2)c(=O)n(N=[N+]=[N-])c1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
POLA1 P09884 1/20 0.36
POLD1 P28340 1/20 0.36
P2RY6 Q15077 4/20 0.35
P2RY14 Q15391 2/20 0.35
TK1 P04183 4/20 0.35
P2RY2 P41231 3/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
ALB P02768 1/20 0.31
PKM P14618 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
CYP2D6 P10635 1/20 0.31
P2RY4 P51582 2/20 0.31
ENPP1 P22413 1/20 0.30
ABCG2 Q9UNQ0 2/20 0.30

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
SCHEMBL9279551 0.88 TK1 (0.44) POLBPOLA1POLD1TK1LMNA
SCHEMBL8692891 0.85 POLB (0.51) POLBPOLA1POLD1P2RY6TK1
Phosphoric Acid SCHEMBL9086402 0.81 TK1 (0.39) POLBPOLA1POLD1TK1LMNA
SCHEMBL3813740 0.80 LMNA (0.41) TK1LMNATSHRALBPKM
SCHEMBL6689098 0.78 TK1 (0.53) POLBPOLA1POLD1P2RY6P2RY14
SCHEMBL28496626 0.74 ABCG2 (0.47) ABCG2
SCHEMBL18258987 0.74 LMNA (0.32) TK1LMNATSHRALBPKM
SCHEMBL10481879 0.70 LMNA (0.37) TK1LMNATSHRALBPKM
SCHEMBL10481880 0.70 LMNA (0.37) TK1LMNATSHRALBPKM
SCHEMBL6757641 0.70 LMNA (0.36) TK1LMNATSHRALBPKM

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-1485395-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS Biota, Inc. (US) 2004-12-15 EP disclosed
WO-2003072757-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA, INC. (US) 2003-09-04 WO disclosed