SCHEMBL10704722

SCHEMBL10704722

CC(=O)OC[C@H]1O[C@@H](n2c(C(=O)O)nc(C#N)c2O)[C@H](O)[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ HTT P42858 1/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ HINT1 P49773 3/20 0.33
▸ LMNA P02545 2/20 0.32
▸ ATG7 O95352 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SLC15A1 P46059 1/20 0.32
▸ HSPA5 P11021 2/20 0.32
▸ HSPA2 P54652 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL10708875 0.85 ALDH1A1 (0.52) ALDH1A1HTTLMNAHSPA2
SCHEMBL10623372 0.76 ALDH1A1 (0.46) ALDH1A1HTTHINT1LMNASMN1; SMN2
SCHEMBL10707759 0.68 HINT1 (0.39) ALDH1A1HINT1LMNATHRBSMN1; SMN2
SCHEMBL10623379 0.67 LMNA (0.33) ALDH1A1GALR3HINT1LMNATHRB
SCHEMBL11181714 0.66 FBP1 (0.47) ALDH1A1LMNATHRBTSHRMAPT
SCHEMBL9975391 0.65 SLC15A1 (0.41) ALDH1A1GALR3LMNATHRBSMN1; SMN2
SCHEMBL10620674 0.65 ALDH1A1 (0.53) ALDH1A1HTTHINT1LMNA
SCHEMBL1625067 0.65 SLC15A1 (0.41) ALDH1A1GALR3LMNATHRBSMN1; SMN2
SCHEMBL8176532 0.65 SLC15A1 (0.54) ALDH1A1HINT1LMNATHRBSMN1; SMN2
SCHEMBL1624916 0.65 SLC15A1 (0.47) ALDH1A1HINT1LMNATHRBSMN1; SMN2

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-0155164-B1 NOVEL CYANOIMIDAZOLE NUCLEOSIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1988-11-17 — — EP claimed
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