SCHEMBL7898455

SCHEMBL7898455

C=CCOC(=O)C(O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHCY P23526 12/20 0.60
HIF1A Q16665 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
HSP90B1 P14625 2/20 0.56
ADORA2A P29274 1/20 0.55
ADORA2B P29275 1/20 0.55
TSHR P16473 1/20 0.54
LMNA P02545 1/20 0.54
THRB P10828 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL7898363 0.87 HSP90B1 (0.70) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL11407218 0.87 HSP90B1 (0.70) AHCYHIF1ATMEM97SIGMAR1HSP90B1
Hydrochloric Acid SCHEMBL11797895 0.87 HSP90B1 (0.69) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL11795747 0.86 HSP90B1 (0.58) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL11131647 0.85 AHCY (0.67) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL11410351 0.85 AHCY (0.67) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL11794304 0.85 AHCY (0.58) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL11794284 0.85 AHCY (0.58) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL11409652 0.84 AHCY (0.72) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL11409666 0.84 AHCY (0.72) AHCYHIF1ATMEM97SIGMAR1HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58174400-A None JP 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
EP-0515514-B1 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS DISCOVERY THERAPEUTICS INC (US) 2000-08-30 EP disclosed
US-RE36494-E 2-aralkoxy and 2-alkoxy adenosine derivatives as coronary vasodilators and antihypertensive agents DISCOVERY THERAPEUTICS, INC. (US) 2000-01-11 US 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-0515514-A4 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS 1993-01-13 EP disclosed
EP-0515514-A1 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS WHITBY RESEARCH, Inc. (US) 1992-12-02 EP disclosed
US-5140015-A Racemic mixture for inducing an adenosine response in humans and animals WHITBY RESEARCH, INC. (US) 1992-08-18 US disclosed
WO-1991013082-A1 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS WHITBY RESEARCH, INC. (US) 1991-09-05 WO 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
JP-S58174400-A ADENOSINE DERIVATIVE AND PREPARATION THEREOF TANABE SEIYAKU CO LTD 1983-10-13 JP disclosed