SCHEMBL28635586

SCHEMBL28635586

Cn1c(=O)[nH]c(=O)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.59
▸ PAX8 Q06710 1/20 0.55
▸ PYGM P11217 3/20 0.54
▸ SLC28A1 O00337 1/20 0.51
▸ SLC28A2 O43868 1/20 0.51
▸ SLC29A1 Q99808 1/20 0.51
▸ SLC28A3 Q9HAS3 1/20 0.51
▸ GMNN O75496 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ DNMT1 P26358 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ MTOR P42345 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ HBB P68871 1/20 0.49
▸ PMP22 Q01453 1/20 0.49

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
SCHEMBL31685780 0.99 HPGD (0.60) HPGDPAX8PYGMSLC28A1SLC28A2
SCHEMBL31685347 0.87 HPGD (0.48) HPGDPAX8PYGMTK2
SCHEMBL31685360 0.85 ADORA1 (0.51) HPGD
SCHEMBL31685712 0.84 IMPDH2 (0.66) —
SCHEMBL7152626 0.82 PAX8 (0.52) HPGDPAX8SLC28A1SLC28A2SLC29A1
SCHEMBL4581304 0.81 HPGD (0.54) HPGDPAX8SLC28A1SLC28A2SLC29A1
SCHEMBL4778753 0.81 PAX8 (0.53) HPGDPAX8SLC28A1SLC28A2SLC29A1
SCHEMBL4778770 0.81 PAX8 (0.53) HPGDPAX8SLC28A1SLC28A2SLC29A1
SCHEMBL10726368 0.80 HPGD (0.54) HPGDPAX8PYGMSLC28A1SLC28A2
SCHEMBL31685373 0.80 TK1 (0.56) LMNADNMT1BLMPMP22TK2

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
CN-113433239-A Marker and kit for diagnosing cardia cancer 郑州大学第一附属医院 2021-09-24 — — CN disclosed
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