SCHEMBL7124713

SCHEMBL7124713

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.49
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
ADORA3 P0DMS8 2/20 0.38
ADK P55263 7/20 0.37
HSPA8 P11142 1/20 0.37
PNP P00491 2/20 0.36
SLC15A1 P46059 1/20 0.36
PTPN1 P18031 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 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
SCHEMBL7739934 1.00 HDAC6 (0.49) HDAC6CCNT1CDK9ADORA3ADK
SCHEMBL7739177 1.00 HDAC6 (0.49) HDAC6CCNT1CDK9ADORA3ADK
SCHEMBL7739180 1.00 HDAC6 (0.49) HDAC6CCNT1CDK9ADORA3ADK
SCHEMBL7115836 0.86 HDAC6 (0.50) HDAC6CCNT1CDK9ADORA3ADK
SCHEMBL7213111 0.86 HDAC6 (0.50) HDAC6CCNT1CDK9ADORA3ADK
SCHEMBL7734328 0.83 HDAC6 (0.45) HDAC6CCNT1CDK9ADORA3ADK
SCHEMBL7210198 0.83 HDAC6 (0.53) HDAC6CCNT1CDK9ADORA3ADK
SCHEMBL7210194 0.83 HDAC6 (0.53) HDAC6CCNT1CDK9ADORA3ADK
SCHEMBL7215020 0.81 HDAC6 (0.74) HDAC6CCNT1CDK9ADORA3ADK
SCHEMBL10308324 0.81 HDAC6 (0.74) HDAC6CCNT1CDK9ADORA3ADK

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 5 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-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 US disclosed
US-5360795-A Treating cytomegalo virus and herpes simplex viruses THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1994-11-01 US disclosed
US-5360795-A Treating cytomegalo virus and herpes simplex viruses THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1994-11-01 US disclosed
WO-1994008456-A1 POLYSUBSTITUTED BENZIMIDAZOLES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1994-04-28 WO disclosed