SCHEMBL7898371

SCHEMBL7898371

CCOC(=O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 9/20 0.79
HSP90B1 P14625 1/20 0.71
ADORA1 P30542 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
ADORA3 P0DMS8 2/20 0.66
ADORA2A P29274 2/20 0.66
ADORA2B P29275 2/20 0.66
DPP4 P27487 1/20 0.66
MEN1 O00255 1/20 0.66
SLC28A1 O00337 1/20 0.66
MAP3K7 O43318 1/20 0.66
SLC28A2 O43868 1/20 0.66
GAPDH P04406 1/20 0.66
MAPK1 P28482 1/20 0.66
STAT6 P42226 1/20 0.66
PI4KA P42356 1/20 0.66
KMT2A Q03164 1/20 0.66
PI4K2B Q8TCG2 1/20 0.66
DOT1L Q8TEK3 1/20 0.66
SLC29A1 Q99808 1/20 0.66

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
Hydrochloric Acid SCHEMBL11797921 0.99 AHCY (0.77) AHCYHSP90B1ADORA1SMN1; SMN2ADORA3
SCHEMBL13986435 0.89 HSP90B1 (0.66) AHCYHSP90B1ADORA1SMN1; SMN2ADORA3
SCHEMBL16512994 0.88 EHMT1 (0.72) AHCYHSP90B1ADORA1SMN1; SMN2ADORA3
SCHEMBL7898469 0.87 AHCY (0.75) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL7925039 0.87 HSP90B1 (0.70) HSP90B1ADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL5972642 0.86 DOT1L (0.76) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL9391567 0.86 DOT1L (0.76) AHCYADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL6907691 0.86 DOT1L (0.70) AHCYHSP90B1KMT2ADOT1LEHMT1
SCHEMBL6907668 0.86 DOT1L (0.70) AHCYHSP90B1KMT2ADOT1LEHMT1
SCHEMBL11519682 0.86 P2RY1 (0.68) AHCYHSP90B1ADORA1SMN1; SMN2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4088756-A TREATING PSORIASIS, DERMATITIS WITH ADRENERGIC AGENTS AND HYPOGLYCEMIC AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1978-05-09 US disclosed
US-3971849-A 1,N6 -etheno-5'-adenosine carboxylates for increasing coronary sinus partial pressure of oxygen ABBOTT LABORATORIES (US) 1976-07-27 US disclosed