SCHEMBL7123962

SCHEMBL7123962

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.43
ALDH1A1 P00352 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
ADORA2B P29275 3/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 2/20 0.31
CA9 Q16790 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL7209028 1.00 SLC15A1 (0.43) SLC15A1ALDH1A1HDAC6CCNT1CDK9
SCHEMBL7734416 1.00 SLC15A1 (0.43) SLC15A1ALDH1A1HDAC6CCNT1CDK9
SCHEMBL7740690 0.90 SLC15A1 (0.41) SLC15A1ALDH1A1HDAC6CCNT1CDK9
SCHEMBL9419631 0.89 HDAC6 (0.35) SLC15A1ALDH1A1HDAC6CCNT1CDK9
SCHEMBL9387641 0.89 HDAC6 (0.35) SLC15A1ALDH1A1HDAC6CCNT1CDK9
SCHEMBL9419671 0.89 HDAC6 (0.35) SLC15A1ALDH1A1HDAC6CCNT1CDK9
SCHEMBL7734546 0.87 ALDH1A1 (0.41) SLC15A1ALDH1A1LMNATP53MAPT
SCHEMBL7734335 0.87 ALDH1A1 (0.35) SLC15A1ALDH1A1ADORA2BLMNATP53
SCHEMBL7734321 0.87 ADORA2B (0.35) SLC15A1ALDH1A1ADORA2B
SCHEMBL7734412 0.86 ALDH1A1 (0.38) SLC15A1ALDH1A1LMNATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970100-B1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-11-12 EP disclosed
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-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 US disclosed
US-6204249-B1 L-benzimidazole nucleosides GLAXO WELLCOME INC. 2001-03-20 US disclosed
EP-0970100-A1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-01-12 EP disclosed
WO-1998035977-A1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-08-20 WO disclosed