SCHEMBL14156807

SCHEMBL14156807

CC(=O)OCC1OC(n2cnc3c(=O)[nH]c4nccn4c32)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ LMNA P02545 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ TP53 P04637 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ PRKAB2 O43741 1/20 0.46
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA2 P54646 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46
▸ PRKAG3 Q9UGI9 1/20 0.46
▸ PRKAG2 Q9UGJ0 1/20 0.46
▸ PRKAB1 Q9Y478 1/20 0.46
▸ PRKCA P17252 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 3/20 0.38

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
SCHEMBL31685499 0.84 LMNA (0.58) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL14156806 0.80 ALDH1A1 (0.66) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL23710555 0.79 ALDH1A1 (0.59) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL31685251 0.79 ALDH1A1 (0.59) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL1120690 0.77 ALDH1A1 (0.68) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL13296251 0.77 ALDH1A1 (0.68) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL278167 0.77 ALDH1A1 (0.68) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL13462039 0.77 ALDH1A1 (0.68) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL25407962 0.77 ALDH1A1 (0.68) ALDH1A1LMNAMAPTTP53TDP1
SCHEMBL3422978 0.77 ALDH1A1 (0.68) ALDH1A1LMNAMAPTTP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7385051-B2 Fluorescent N2,N3-etheno-purine (2′-deoxy) riboside derivatives and uses thereof BAR-LLAN UNIVERSITY (IL) 2008-06-10 — — US disclosed
US-7385051-B2 Fluorescent N2,N3-etheno-purine (2′-deoxy) riboside derivatives and uses thereof BAR-LLAN UNIVERSITY (IL) 2008-06-10 — — US disclosed
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