SCHEMBL3387785

SCHEMBL3387785

CC(=O)OC[C@H]1O[C@@H](n2cc(I)c(NO)nc2=O)C[C@@H]1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
RNASE1 P07998 1/20 0.34
P2RY1 P47900 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADRB1 P08588 1/20 0.32
DNMT1 P26358 1/20 0.32
TK1 P04183 1/20 0.32

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
SCHEMBL2587213 0.89 LMNA (0.37) POLBLMNATHRBSMN1; SMN2HIF1A
SCHEMBL2587513 0.89 RNASE1 (0.40) POLBLMNATHRBSMN1; SMN2HIF1A
SCHEMBL2580684 0.89 POLB (0.36) POLBLMNATHRBSMN1; SMN2HIF1A
SCHEMBL2587599 0.89 POLB (0.36) POLBLMNATHRBSMN1; SMN2HIF1A
SCHEMBL2584230 0.89 POLB (0.36) POLBLMNATHRBSMN1; SMN2HIF1A
SCHEMBL2581114 0.87 POLB (0.35) POLBLMNATHRBSMN1; SMN2HIF1A
SCHEMBL2583846 0.87 POLB (0.35) POLBLMNATHRBSMN1; SMN2HIF1A
SCHEMBL2579327 0.87 CA12 (0.36) POLBLMNATHRBSMN1; SMN2HIF1A
SCHEMBL2580798 0.87 POLB (0.35) POLBLMNATHRBSMN1; SMN2HIF1A
SCHEMBL2583493 0.86 TSHR (0.36) POLBLMNATHRBSMN1; SMN2HIF1A

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
EP-1411954-B1 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET INC (US) 2010-12-15 EP disclosed