SCHEMBL7214248

SCHEMBL7214248

CC(=O)O[C@H]1[C@@H](OC(C)=O)C(CO)O[C@@H]1n1c(NC(C)C)nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.68
SLC15A1 P46059 1/20 0.37
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
CD69 Q07108 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
TRPV4 Q9HBA0 5/20 0.33
GLP1R P43220 1/20 0.33
ADORA2B P29275 1/20 0.32

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
SCHEMBL7215034 0.93 HDAC6 (0.60) HDAC6SLC15A1LMNAALDH1A1TP53
SCHEMBL7215029 0.93 HDAC6 (0.60) HDAC6SLC15A1LMNAALDH1A1TP53
SCHEMBL1764578 0.91 HDAC6 (0.58) HDAC6SLC15A1LMNAALDH1A1TP53
SCHEMBL27241012 0.91 HDAC6 (0.58) HDAC6SLC15A1LMNAALDH1A1TP53
SCHEMBL1764581 0.91 HDAC6 (0.58) HDAC6SLC15A1LMNAALDH1A1TP53
Hydrochloric Acid SCHEMBL27241013 0.90 HDAC6 (0.57) HDAC6SLC15A1LMNAALDH1A1TP53
Hydrochloric Acid SCHEMBL31273762 0.90 HDAC6 (0.57) HDAC6SLC15A1LMNAALDH1A1TP53
SCHEMBL7214214 0.89 HDAC6 (0.53) HDAC6LMNAALDH1A1TP53MAPT
SCHEMBL7208090 0.85 HDAC6 (0.55) HDAC6SLC15A1LMNAALDH1A1TP53
SCHEMBL7208094 0.85 HDAC6 (0.55) HDAC6SLC15A1LMNAALDH1A1TP53

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