SCHEMBL7116192

SCHEMBL7116192

CCCCCCNc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.51
SLC29A1 Q99808 5/20 0.39
FBP1 P09467 1/20 0.38
LMNA P02545 1/20 0.34
SLC15A1 P46059 1/20 0.34
BRD4 O60885 4/20 0.34
HSPA8 P11142 1/20 0.34

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
SCHEMBL7869884 0.87 HDAC6 (0.68) HDAC6SLC29A1FBP1HSPA8
SCHEMBL7869879 0.87 HDAC6 (0.68) HDAC6SLC29A1FBP1HSPA8
SCHEMBL7809935 0.84 HDAC6 (0.70) HDAC6SLC29A1FBP1HSPA8
SCHEMBL7809936 0.84 HDAC6 (0.70) HDAC6SLC29A1FBP1HSPA8
SCHEMBL7739171 0.82 HDAC6 (0.53) HDAC6FBP1LMNASLC15A1HSPA8
SCHEMBL7210194 0.80 HDAC6 (0.53) HDAC6SLC29A1SLC15A1HSPA8
SCHEMBL7210198 0.80 HDAC6 (0.53) HDAC6SLC29A1SLC15A1HSPA8
SCHEMBL7738032 0.80 HDAC6 (0.51) HDAC6HSPA8
SCHEMBL7112592 0.79 HDAC6 (0.63) HDAC6FBP1SLC15A1HSPA8
SCHEMBL7807814 0.79 HDAC6 (0.72) HDAC6SLC29A1FBP1HSPA8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970100-B1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-11-12 EP claimed
US-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 US claimed
EP-0970100-A1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-01-12 EP claimed
WO-1998035977-A1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-08-20 WO claimed
EP-0970100-B1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-11-12 EP disclosed
US-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 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