SCHEMBL7871847

SCHEMBL7871847

CC(=O)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.43
GALR3 O60755 1/20 0.42
PRKCA P17252 1/20 0.40
AKT1 P31749 1/20 0.40
PTK2 Q05397 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.39
SLC15A1 P46059 1/20 0.39
CA9 Q16790 8/20 0.39
CA12 O43570 7/20 0.39

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
SCHEMBL7871851 1.00 LMNA (0.47) LMNAALDH1A1MAPTTP53TDP1
SCHEMBL1764578 0.89 HDAC6 (0.58) LMNAALDH1A1MAPTTP53TDP1
SCHEMBL1764581 0.89 HDAC6 (0.58) LMNAALDH1A1MAPTTP53TDP1
SCHEMBL27241012 0.89 HDAC6 (0.58) LMNAALDH1A1MAPTTP53TDP1
SCHEMBL7812617 0.89 LMNA (0.46) LMNAALDH1A1MAPTTP53TDP1
SCHEMBL7812613 0.89 LMNA (0.46) LMNAALDH1A1MAPTTP53TDP1
Hydrochloric Acid SCHEMBL31273762 0.88 HDAC6 (0.57) LMNAALDH1A1MAPTTP53TDP1
Hydrochloric Acid SCHEMBL27241013 0.88 HDAC6 (0.57) LMNAALDH1A1MAPTTP53TDP1
SCHEMBL3932951 0.87 ALDH1A1 (0.51) LMNAALDH1A1MAPTTP53TDP1
SCHEMBL7634776 0.87 ALDH1A1 (0.51) LMNAALDH1A1MAPTTP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6307043-B1 FOR TREATMENT OR PROPHYLAXIS OF HERPES VIRAL INFECTIONS GLAXO WELLCOME INC. 2001-10-23 US disclosed
US-6077832-A FOR THERAPY AND PROPHYLAXIS OF HERPES VIRUS INFECTION GLAXO WELLCOME INC. (US) 2000-06-20 US disclosed
EP-0769017-B1 THERAPEUTIC COMPOUNDS WELLCOME FOUND (GB) 2000-05-24 EP disclosed
US-5998605-A Antiviral benzimidazole nucleoside analogues and method for their preparation GLAXO WELLCOME INC. (US) 1999-12-07 US disclosed
WO-1996001833-A1 THERAPEUTIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1996-01-25 WO disclosed