SCHEMBL5327602

SCHEMBL5327602

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(O)NC=O)[C@@H](O)[C@H]1O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHCY P23526 10/20 0.65
HIF1A Q16665 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
HSP90B1 P14625 2/20 0.60
ADORA2A P29274 2/20 0.60
ADORA2B P29275 2/20 0.60
ADORA3 P0DMS8 2/20 0.60
TSHR P16473 1/20 0.60
LMNA P02545 1/20 0.60
THRB P10828 1/20 0.60
BLM P54132 1/20 0.60
KMT2A Q03164 1/20 0.60
HSP90AA1 P07900 1/20 0.60
ADORA1 P30542 1/20 0.60
PRMT5 O14744 1/20 0.58
WDR77 Q9BQA1 1/20 0.58

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
SCHEMBL8661748 0.86 AHCY (0.69) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL8661561 0.86 AHCY (0.69) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL397800 0.85 AHCY (0.68) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL31680251 0.85 AHCY (0.68) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL18979357 0.85 AHCY (0.64) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL7803295 0.84 AHCY (0.67) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL6671788 0.84 AHCY (0.67) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL2040666 0.83 PRMT5 (0.66) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL29042658 0.83 TSHR (0.62) AHCYHSP90B1ADORA2AADORA2BADORA3
SCHEMBL4327814 0.83 ADORA2A (0.53) ADORA2AADORA2BADORA3TSHRADORA1

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
WO-2007135380-A2 ANTIPARASITIC COMPOUNDS AND COMPOSITIONS MEDICAL RESEARCH COUNCIL (GB) 2007-11-29 WO disclosed
US-RE37045-E1 N-6 substituted-5′-(N-substituted carboxamide)adenosines as cardiac vasodilator and antihypertensive agents DISCOVERY THERAPEUTICS, INC. 2001-02-06 US disclosed
WO-1995002604-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-01-26 WO disclosed
US-5310731-A N-6 substituted-5'-(N-substitutedcarboxamido)adenosines as cardiac vasodilators and antihypertensive agents WHITBY RESEARCH, INC. (US) 1994-05-10 US disclosed
EP-0191025-B1 N-6 AND 5'-N SUBSTITUTED CARBOXAMIDOADENOSINE DERIVATIVES AS CARDIAC VASODILATORS AND ANTIHYPERTENSIVE AGENTS, AND PROCESS FOR MAKING SAID COMPOUNDS Whitby Research Incorporated (US) 1990-03-07 EP disclosed
EP-0191025-A1 N-6 AND 5'-N SUBSTITUTED CARBOXAMIDOADENOSINE DERIVATIVES AS CARDIAC VASODILATORS AND ANTIHYPERTENSIVE AGENTS, AND PROCESS FOR MAKING SAID COMPOUNDS. NELSON RES & DEV (US) 1986-08-20 EP disclosed
WO-1986000310-A1 N-6 AND 5'-N SUBSTITUTED CARBOXAMIDOADENOSINE DERIVATIVES AS CARDIAC VASODILATORS AND ANTIHYPERTENSIVE AGENTS, AND PROCESS FOR MAKING SAID COMPOUNDS NELSON RESEARCH AND DEVELOPMENT COMPANY (US) 1986-01-16 WO disclosed