SCHEMBL1858296

SCHEMBL1858296

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)[C@@H](N)CC(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.75
PLA2G2A P14555 1/20 0.71
EHMT2 Q96KQ7 4/20 0.66
NNMT P40261 3/20 0.66
DOT1L Q8TEK3 5/20 0.65
NSD2 O96028 3/20 0.65
SETD7 Q8WTS6 3/20 0.65
CARM1 Q86X55 3/20 0.65
PCMT1 P22061 2/20 0.65
TRDMT1 O14717 2/20 0.65
PRMT5 O14744 2/20 0.65
INMT O95050 2/20 0.65
METTL3 Q86U44 2/20 0.65
PRMT1 Q99873 2/20 0.65
EHMT1 Q9H9B1 2/20 0.65
METTL14 Q9HCE5 2/20 0.65
RNMT O43148 1/20 0.65
TPMT P51580 1/20 0.65
NSD1 Q96L73 1/20 0.65
SETD2 Q9BYW2 1/20 0.65

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
SCHEMBL14450634 0.89 EHMT2 (0.72) MARS1PLA2G2AEHMT2NNMTDOT1L
SCHEMBL6408975 0.89 MARS1 (0.80) MARS1EHMT2NNMTDOT1LNSD2
SCHEMBL6408983 0.89 MARS1 (0.80) MARS1EHMT2NNMTDOT1LNSD2
SCHEMBL18423487 0.89 P2RY1 (0.73) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL1757017 0.87 ADORA1 (0.73) MARS1PLA2G2ADOT1LADORA1DNPH1
SCHEMBL19859780 0.87 ADORA1 (0.73) MARS1PLA2G2ADOT1LADORA1DNPH1
Adenosine Phosphate SCHEMBL2406483 0.87 P2RY1 (0.81) EHMT2ADORA1DNPH1PRKAB2TRPM2
Adenosine SCHEMBL1858293 0.87 DOT1L (0.77) EHMT2NNMTDOT1LNSD2SETD7
SCHEMBL2761284 0.86 MARS1 (0.74) MARS1PLA2G2ADOT1LADORA1DNPH1
SCHEMBL7757016 0.86 MARS1 (0.73) MARS1ADORA1DNPH1PRKAB2TRPM2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160120894-A1 USE OF ADENOSINE ASPARTATE IN THE DIFFERENTIAL ACTIVATION OF MACROPHAGES IN INFLAMMATORY-FIBROGENIC PROCESSES AND ITS REVERSAL UNIVERSIDAD NACIONAL AUTONOMA DE MEXICO (MX) 2016-05-05 US claimed
US-8507459-B2 Use of adenosine aspartate for the preparation of pharmaceutical products for the treatment of liver cancer UNIVERSIDAD NACIONAL AUTONNOMA DE MEXICO (MX) 2013-08-13 US claimed
US-20110105425-A1 USE OF ADENOSINE ASPARTATE FOR THE PREPARATION OF PHARMACEUTICAL PRODUCTS FOR THE TREATMENT OF LIVER CANCER UNIVERSIDAD NACIONAL AUTONOMA DE MEXICO (MX) 2011-05-05 US claimed
EP-2186519-A1 USE OF ADENOSINE ASPARTATE FOR THE PREPARATION OF PHARMACEUTICAL PRODUCTS FOR THE TREATMENT OF LIVER CANCER UNIVERSIDAD NACIONAL AUTONOMA DE MEXICO (MX) 2010-05-19 EP claimed
US-20160120894-A1 USE OF ADENOSINE ASPARTATE IN THE DIFFERENTIAL ACTIVATION OF MACROPHAGES IN INFLAMMATORY-FIBROGENIC PROCESSES AND ITS REVERSAL UNIVERSIDAD NACIONAL AUTONOMA DE MEXICO (MX) 2016-05-05 US disclosed
US-20160120894-A1 USE OF ADENOSINE ASPARTATE IN THE DIFFERENTIAL ACTIVATION OF MACROPHAGES IN INFLAMMATORY-FIBROGENIC PROCESSES AND ITS REVERSAL UNIVERSIDAD NACIONAL AUTONOMA DE MEXICO (MX) 2016-05-05 US disclosed
US-20160120894-A1 USE OF ADENOSINE ASPARTATE IN THE DIFFERENTIAL ACTIVATION OF MACROPHAGES IN INFLAMMATORY-FIBROGENIC PROCESSES AND ITS REVERSAL UNIVERSIDAD NACIONAL AUTONOMA DE MEXICO (MX) 2016-05-05 US disclosed
WO-2014189349-A1 USE OF ADENOSINE ASPARTATE IN THE DIFFERENTIAL ACTIVATION OF MACROPHAGES IN INFLAMMATORY-FIBROGENIC PROCESSES AND THE REVERSION THEREOF Universidad Nacional Autónoma de México (MX) 2014-11-27 WO disclosed
WO-2014189349-A1 USE OF ADENOSINE ASPARTATE IN THE DIFFERENTIAL ACTIVATION OF MACROPHAGES IN INFLAMMATORY-FIBROGENIC PROCESSES AND THE REVERSION THEREOF Universidad Nacional Autónoma de México (MX) 2014-11-27 WO disclosed
US-8507459-B2 Use of adenosine aspartate for the preparation of pharmaceutical products for the treatment of liver cancer UNIVERSIDAD NACIONAL AUTONNOMA DE MEXICO (MX) 2013-08-13 US disclosed
US-8507459-B2 Use of adenosine aspartate for the preparation of pharmaceutical products for the treatment of liver cancer UNIVERSIDAD NACIONAL AUTONNOMA DE MEXICO (MX) 2013-08-13 US disclosed
US-8507459-B2 Use of adenosine aspartate for the preparation of pharmaceutical products for the treatment of liver cancer UNIVERSIDAD NACIONAL AUTONNOMA DE MEXICO (MX) 2013-08-13 US disclosed
US-20110105425-A1 USE OF ADENOSINE ASPARTATE FOR THE PREPARATION OF PHARMACEUTICAL PRODUCTS FOR THE TREATMENT OF LIVER CANCER UNIVERSIDAD NACIONAL AUTONOMA DE MEXICO (MX) 2011-05-05 US disclosed
US-20110105425-A1 USE OF ADENOSINE ASPARTATE FOR THE PREPARATION OF PHARMACEUTICAL PRODUCTS FOR THE TREATMENT OF LIVER CANCER UNIVERSIDAD NACIONAL AUTONOMA DE MEXICO (MX) 2011-05-05 US disclosed
EP-2186519-A4 USE OF ADENOSINE ASPARTATE FOR THE PREPARATION OF PHARMACEUTICAL PRODUCTS FOR THE TREATMENT OF LIVER CANCER UNIV MEXICO NACIONAL AUTONOMA (MX) 2010-09-01 EP disclosed
EP-2186519-A1 USE OF ADENOSINE ASPARTATE FOR THE PREPARATION OF PHARMACEUTICAL PRODUCTS FOR THE TREATMENT OF LIVER CANCER UNIVERSIDAD NACIONAL AUTONOMA DE MEXICO (MX) 2010-05-19 EP disclosed
EP-2186519-A1 USE OF ADENOSINE ASPARTATE FOR THE PREPARATION OF PHARMACEUTICAL PRODUCTS FOR THE TREATMENT OF LIVER CANCER UNIVERSIDAD NACIONAL AUTONOMA DE MEXICO (MX) 2010-05-19 EP disclosed
EP-2186519-A1 USE OF ADENOSINE ASPARTATE FOR THE PREPARATION OF PHARMACEUTICAL PRODUCTS FOR THE TREATMENT OF LIVER CANCER UNIVERSIDAD NACIONAL AUTONOMA DE MEXICO (MX) 2010-05-19 EP disclosed
WO-2009031876-A1 USE OF ADENOSINE ASPARTATE FOR THE PREPARATION OF PHARMACEUTICAL PRODUCTS FOR THE TREATMENT OF LIVER CANCER UNIVERSIDAD NACIONAL AUTONOMA DE MEXICO (MX) 2009-03-12 WO disclosed
WO-2009031876-A1 USE OF ADENOSINE ASPARTATE FOR THE PREPARATION OF PHARMACEUTICAL PRODUCTS FOR THE TREATMENT OF LIVER CANCER UNIVERSIDAD NACIONAL AUTONOMA DE MEXICO (MX) 2009-03-12 WO disclosed