SCHEMBL8184232

SCHEMBL8184232

O=C(O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 1.00
PTPN1 P18031 10/20 0.47
CDC25B P30305 8/20 0.47
PTPN2 P17706 5/20 0.46
PTPN11 Q06124 5/20 0.46
PTPN6 P29350 4/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
BCHE P06276 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TACR2 P21452 2/20 0.43

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
SCHEMBL6313488 1.00 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL6313490 1.00 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL8184231 1.00 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL749253 1.00 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL8928824 0.99 NT5E (0.98) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL9164604 0.99 NT5E (0.98) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL8928920 0.99 NT5E (0.98) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL11418144 0.96 NT5E (0.93) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL11418140 0.96 NT5E (0.93) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL21749232 0.91 NT5E (0.84) NT5EPTPN1CDC25BPTPN2PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093698-A 1-(2',3',5'-TRIACETYL-BETA-D-RIBOFURANOSYL),2-BROMO,5,6-DICHLORO -BENZIMIDAZOLE OR 1-(5'-ACETYL-BETA-D-RIBOFURANOSYL),2-BROMO,5,6-DICHLORO-BENZIMIDAZOLE; TREATING HERPES VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2000-07-25 US disclosed
US-5712255-A VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1998-01-27 US disclosed
US-5705490-A TREATMENT OF HERPES OR CYTOMEGALOVIRUS WITH BENZIMIDAZOLE DERIATIVES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1998-01-06 US disclosed
US-5665709-A FOR TREATING A HERPES VIRAL INFECTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1997-09-09 US disclosed
US-5654283-A HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1997-08-05 US disclosed
US-5646125-A Polysubstituted benzimidazoles as antiviral agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1997-07-08 US disclosed
US-5574058-A Polysubstituted benzimidazoles as antiviral agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-11-12 US disclosed
EP-0556334-A4 POLYSUBSTITUTED BENZIMIDAZOLES AS ANTIVIRAL AGENTS UNIV MICHIGAN (US) 1995-03-29 EP disclosed
US-5360795-A Treating cytomegalo virus and herpes simplex viruses THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1994-11-01 US disclosed
EP-0556334-A1 POLYSUBSTITUTED BENZIMIDAZOLES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1993-08-25 EP disclosed
WO-1992007867-A1 POLYSUBSTITUTED BENZIMIDAZOLES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1992-05-14 WO disclosed