SCHEMBL13253160

SCHEMBL13253160

O=C(O)CNC(=O)CNC(=O)n1nnc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.58
▸ MGLL Q99685 3/20 0.52
▸ GAA P10253 6/20 0.51
▸ MGAM O43451 5/20 0.51
▸ AMY1A P0DUB6 5/20 0.51
▸ SI P14410 5/20 0.51
▸ MGAM2 Q2M2H8 5/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ F2 P00734 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SLC9A1 P19634 1/20 0.51
▸ MEN1 O00255 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ EGLN3 Q9H6Z9 1/20 0.46
▸ DGAT1 O75907 1/20 0.45
▸ KCNMA1 Q12791 1/20 0.45
▸ F12 P00748 3/20 0.44

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
SCHEMBL8221643 0.94 ASAH1 (0.64) ASAH1MGLLGAAMGAMAMY1A
SCHEMBL8221504 0.82 ASAH1 (0.60) ASAH1MGLLGAAMGAMAMY1A
SCHEMBL8218832 0.80 ASAH1 (0.57) ASAH1MGLLGAAMGAMAMY1A
SCHEMBL427517 0.79 ASAH1 (0.70) ASAH1MGLLGAAMGAMAMY1A
SCHEMBL20150832 0.79 ASAH1 (0.71) ASAH1MGLLGAAMGAMAMY1A
SCHEMBL12593813 0.77 ASAH1 (0.83) ASAH1MGLLGAAMGAMAMY1A
SCHEMBL8218121 0.75 ASAH1 (0.50) ASAH1MGLLGAAMGAMAMY1A
Malonic Acid SCHEMBL8211367 0.75 GAA (0.61) ASAH1MGLLGAAMGAMAMY1A
SCHEMBL12593872 0.75 ASAH1 (0.93) ASAH1MGLLGAAMGAMAMY1A
SCHEMBL426720 0.74 GAA (0.59) ASAH1MGLLGAAMGAMAMY1A

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-7754684-B2 Macromolecular platinum chelates ACCESS PHARMACEUTICALS, INC. (US) 2010-07-13 — — US disclosed
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