SCHEMBL9682513

SCHEMBL9682513

COC(=O)OC[C@H]1O[C@@H](n2cnc3c(OC(=O)N(c4ccccc4)c4ccccc4)nc(NC(C)=O)nc32)[C@H](OC(C)=O)[C@H]1OS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.48
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
BCHE P06276 2/20 0.36
HINT1 P49773 1/20 0.35
PRMT6 Q96LA8 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
SLC29A1 Q99808 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
SCHEMBL26207253 0.83 ACHE (0.47) ACHEALDH1A1LMNATP53MAPT
SCHEMBL14665045 0.83 LMNA (0.55) ACHEALDH1A1LMNATP53MAPT
SCHEMBL1062535 0.83 LMNA (0.55) ACHEALDH1A1LMNATP53MAPT
SCHEMBL26622729 0.83 ACHE (0.52) ACHEALDH1A1LMNATP53MAPT
SCHEMBL26622653 0.83 ACHE (0.52) ACHEALDH1A1LMNATP53MAPT
SCHEMBL26207951 0.82 ACHE (0.46) ACHEALDH1A1LMNATP53MAPT
SCHEMBL26622898 0.81 ACHE (0.51) ACHEALDH1A1LMNATP53MAPT
SCHEMBL26206937 0.81 ACHE (0.46) ACHEALDH1A1LMNATP53MAPT
SCHEMBL26208188 0.80 ACHE (0.47) ACHEALDH1A1LMNATP53MAPT
SCHEMBL26209794 0.80 ACHE (0.46) ACHEALDH1A1LMNATP53MAPT

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-5153318-A Viricides for hepatitis and human t-cell leukemia/lymphoma viruses BURROUGHS WELLCOME CO. (US) 1992-10-06 US disclosed
EP-0421739-A1 3'-azido purine nucleoside THE WELLCOME FOUNDATION LIMITED (GB) 1991-04-10 EP disclosed