SCHEMBL7208090

SCHEMBL7208090

CC(=O)OC[C@@H]1O[C@H](n2c(NC(C)C)nc3cc(Cl)c(Cl)cc32)[C@@H](OC(C)=O)[C@@H]1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.55
SLC15A1 P46059 1/20 0.41
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 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
SCHEMBL7208094 1.00 HDAC6 (0.55) HDAC6SLC15A1LMNATHRBSMN1; SMN2
SCHEMBL1764578 0.92 HDAC6 (0.58) HDAC6SLC15A1LMNATHRBSMN1; SMN2
SCHEMBL1764581 0.92 HDAC6 (0.58) HDAC6SLC15A1LMNATHRBSMN1; SMN2
SCHEMBL27241012 0.92 HDAC6 (0.58) HDAC6SLC15A1LMNATHRBSMN1; SMN2
Hydrochloric Acid SCHEMBL27241013 0.91 HDAC6 (0.57) HDAC6SLC15A1LMNATHRBSMN1; SMN2
Hydrochloric Acid SCHEMBL31273762 0.91 HDAC6 (0.57) HDAC6SLC15A1LMNATHRBSMN1; SMN2
SCHEMBL7214248 0.85 HDAC6 (0.68) HDAC6SLC15A1LMNATHRBSMN1; SMN2
SCHEMBL7215029 0.85 HDAC6 (0.60) HDAC6SLC15A1LMNATHRBSMN1; SMN2
SCHEMBL7215034 0.85 HDAC6 (0.60) HDAC6SLC15A1LMNATHRBSMN1; SMN2
SCHEMBL7864607 0.84 HDAC6 (0.48) HDAC6SLC15A1LMNATHRBSMN1; SMN2

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-6617315-B1 Sugar-substituted benzimidazole derivatives are used for the treatment or prophylaxis of restenosis, particularly following angioplasty CHAMBERLAIN STANLEY DAWES (US) 2003-09-09 US disclosed
US-6204249-B1 L-benzimidazole nucleosides GLAXO WELLCOME INC. 2001-03-20 US disclosed