SCHEMBL9339774

SCHEMBL9339774

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT1 Q9H9B1 1/20 0.63
ADORA1 P30542 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ADORA3 P0DMS8 2/20 0.61
ADORA2A P29274 2/20 0.61
ADORA2B P29275 2/20 0.61
DPP4 P27487 1/20 0.61
MEN1 O00255 1/20 0.61
SLC28A1 O00337 1/20 0.61
MAP3K7 O43318 1/20 0.61
SLC28A2 O43868 1/20 0.61
GAPDH P04406 1/20 0.61
MAPK1 P28482 1/20 0.61
STAT6 P42226 1/20 0.61
PI4KA P42356 1/20 0.61
KMT2A Q03164 1/20 0.61
PI4K2B Q8TCG2 1/20 0.61
DOT1L Q8TEK3 1/20 0.61
SLC29A1 Q99808 1/20 0.61
PI4K2A Q9BTU6 1/20 0.61

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
SCHEMBL2292847 0.94 EHMT1 (0.68) EHMT1ADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL9339756 0.93 EHMT1 (0.67) EHMT1ADORA1SMN1; SMN2ADORA3ADORA2A
Water SCHEMBL8341906 0.93 EHMT1 (0.67) EHMT1ADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL2534140 0.86 EHMT1 (0.70) EHMT1ADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL873362 0.86 ADORA3 (0.72) EHMT1ADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL3698839 0.86 ADORA3 (0.72) EHMT1ADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL18862676 0.85 AHCY (0.70) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL2113154 0.85 AHCY (0.70) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10304700 0.85 AHCY (0.70) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8671033 0.84 EHMT1 (0.74) EHMT1ADORA1SMN1; SMN2ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0444196-B1 AGENT FOR TREATMENT AND PROPHYLAXIS OF ISCHEMIC DISEASE OF HEART OR BRAIN YAMASA SHOYU KK (JP) 1994-06-08 EP disclosed
US-5270304-A Therapeutic 2-alkynyl adenosine agent for ischemic diseases of the heart or brain YAMASA SHOYU KABUSHIKI KAISHA (JP) 1993-12-14 US disclosed
EP-0444196-A1 AGENT FOR TREATMENT AND PROPHYLAXIS OF ISCHEMIC DISEASE OF HEART OR BRAIN Yamasa Shoyu Kabushiki Kaisha (JP) 1991-09-04 EP disclosed