SCHEMBL7899301

SCHEMBL7899301

CSc1nc(NC(=O)NC(C(=O)O)C(C)O)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ ADORA3 P0DMS8 5/20 0.49
▸ ADORA1 P30542 5/20 0.49
▸ ADORA2A P29274 4/20 0.48
▸ ADORA2B P29275 3/20 0.48

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
SCHEMBL63913 1.00 KDM4E (0.51) KDM4EPKMADORA3ADORA1ADORA2A
SCHEMBL934381 1.00 KDM4E (0.51) KDM4EPKMADORA3ADORA1ADORA2A
SCHEMBL7751930 1.00 KDM4E (0.51) KDM4EPKMADORA3ADORA1ADORA2A
SCHEMBL63914 1.00 KDM4E (0.51) KDM4EPKMADORA3ADORA1ADORA2A
SCHEMBL1274810 0.86 ADORA3 (0.51) KDM4EPKMADORA3ADORA1
SCHEMBL1274809 0.86 ADORA3 (0.51) KDM4EPKMADORA3ADORA1
SCHEMBL1707366 0.86 ADORA3 (0.51) KDM4EPKMADORA3ADORA1
SCHEMBL29389281 0.86 ADORA3 (0.51) KDM4EPKMADORA3ADORA1
SCHEMBL28894185 0.86 ADORA3 (0.54) KDM4EPKMADORA3ADORA1
SCHEMBL28894183 0.86 ADORA3 (0.54) KDM4EPKMADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3472344-A1 COMPOSITIONS AND METHODS FOR DETECTING PREDISPOSITION TO CARDIOVASCULAR DISEASE University Of Iowa Research Foundation (US) 2019-04-24 — — EP disclosed
WO-2017214397-A1 COMPOSITIONS AND METHODS FOR DETECTING PREDISPOSITION TO CARDIOVASCULAR DISEASE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2017-12-14 — — WO disclosed
WO-2014186361-A2 PHARMACOGENOMIC BIOMARKERS FOR B CELL MALIGNANCIES AND METHODS OF USE THEREOF CHEN WEI (US) 2014-11-20 — — WO disclosed
EP-1161560-A1 ELECTROPOLYMERIZABLE FILM, AND METHOD OF MAKING AND USE THEREOF The University of North Carolina at Chapel Hill (US) 2001-12-12 — — EP disclosed
US-6180346-B1 ELECTROCHEMICAL DETECTION OF NUCLEIC ACIDS THE UNIVERSTIY OF NORTH CAROLINA AT CHAPEL HILL 2001-01-30 — — US disclosed
WO-2000055366-A1 ELECTROPOLYMERIZABLE FILM, AND METHOD OF MAKING AND USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-09-21 — — WO disclosed
US-5968745-A ELECTRODE OF SUBSTRATE HAVING ELECTROCONDUCTIVE WORKING SURFACE AND A NONCONDUCTIVE OUTER POLYMER LAYER WHERE PROBES CAN BE ATTACHED HAVING MICROFLUIDIC REACTION OPENINGS FOR TRANSITION METAL COMPLEX TO TRANSFER ELECTRONS TO SURFACE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-10-19 — — US disclosed
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