SCHEMBL7742269

SCHEMBL7742269

C[C@H]1O[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](F)[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.43
SLC15A1 P46059 1/20 0.41
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
ADK P55263 1/20 0.33
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL7742274 1.00 HDAC6 (0.43) HDAC6SLC15A1CCNT1CDK9ADK
SCHEMBL7213111 0.89 HDAC6 (0.50) HDAC6SLC15A1CCNT1CDK9ADK
SCHEMBL7115836 0.89 HDAC6 (0.50) HDAC6SLC15A1CCNT1CDK9ADK
SCHEMBL8630058 0.83 HDAC6 (0.56) HDAC6SLC15A1ADORA3
SCHEMBL8630060 0.83 HDAC6 (0.56) HDAC6SLC15A1ADORA3
SCHEMBL7742235 0.83 HDAC6 (0.64) HDAC6SLC15A1CCNT1CDK9
SCHEMBL7742232 0.83 HDAC6 (0.64) HDAC6SLC15A1CCNT1CDK9
SCHEMBL7740690 0.81 SLC15A1 (0.41) HDAC6SLC15A1CCNT1CDK9
SCHEMBL8158228 0.80 SLC15A1 (0.42) HDAC6SLC15A1CCNT1CDK9
SCHEMBL7734312 0.76 THRB (0.47) HDAC6ADKADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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