SCHEMBL152103

SCHEMBL152103

O=C(c1ccccc1)c1ccc(Cl)cc1-n1cc(O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O)c2ccc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HK1 P19367 1/20 0.35
HK2 P52789 1/20 0.35
MAPK8 P45983 7/20 0.34
SLC5A2 P31639 3/20 0.33
LGALS9 O00182 1/20 0.33
LGALS1 P09382 1/20 0.33
LGALS3 P17931 1/20 0.33
LGALS7; LGALS7B P47929 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL14058429 0.95 HK1 (0.35) HK1HK2MAPK8SLC5A2LGALS9
SCHEMBL154836 0.95 HK1 (0.35) HK1HK2MAPK8SLC5A2LGALS9
SCHEMBL151971 0.95 HK1 (0.35) HK1HK2MAPK8SLC5A2LGALS9
SCHEMBL152934 0.93 SMN1; SMN2 (0.39) MAPK8SLC5A2ALDH1A1HTT
SCHEMBL152105 0.90 MEN1 (0.41) SLC5A2ATM
SCHEMBL27872824 0.90 MEN1 (0.41) SLC5A2ATM
SCHEMBL152104 0.90 MEN1 (0.41) SLC5A2ATM
SCHEMBL153287 0.85 HK1 (0.37) HK1HK2SLC5A2LGALS9LGALS1
SCHEMBL153497 0.85 MAPK8 (0.41) MAPK8SLC5A2
SCHEMBL154837 0.84 MEN1 (0.41) SLC5A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed