SCHEMBL9339756

SCHEMBL9339756

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT1 Q9H9B1 1/20 0.67
RXFP1 Q9HBX9 1/20 0.62
ADORA2A P29274 3/20 0.58
ADORA2B P29275 3/20 0.58
ADORA1 P30542 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
DNPH1 O43598 1/20 0.58
PRKAB2 O43741 1/20 0.58
TRPM2 O94759 1/20 0.58
LDHA P00338 1/20 0.58
ADRB2 P07550 1/20 0.58
FBP1 P09467 1/20 0.58
SRC P12931 1/20 0.58
P2RY2 P41231 1/20 0.58
P2RY1 P47900 1/20 0.58
PRKAG1 P54619 1/20 0.58
PRKAA2 P54646 1/20 0.58
PDE4D Q08499 1/20 0.58
KCNH2 Q12809 1/20 0.58
PRKAA1 Q13131 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
SCHEMBL2292847 0.99 EHMT1 (0.68) EHMT1RXFP1ADORA2AADORA2BADORA1
Water SCHEMBL8341906 0.98 EHMT1 (0.67) EHMT1RXFP1ADORA2AADORA2BADORA1
SCHEMBL9339774 0.93 EHMT1 (0.63) EHMT1RXFP1ADORA2AADORA2BADORA1
SCHEMBL10865966 0.87 EHMT1 (0.74) EHMT1RXFP1ADORA2AADORA2BADORA1
SCHEMBL1920531 0.87 EHMT1 (0.74) EHMT1RXFP1ADORA2AADORA2BADORA1
SCHEMBL9231760 0.86 EHMT1 (0.76) EHMT1RXFP1ADORA2AADORA2BADORA1
SCHEMBL1637468 0.86 EHMT1 (0.76) EHMT1RXFP1ADORA2AADORA2BADORA1
SCHEMBL8671033 0.85 EHMT1 (0.74) EHMT1RXFP1ADORA2AADORA2BADORA1
SCHEMBL8671037 0.85 EHMT1 (0.74) EHMT1RXFP1ADORA2AADORA2BADORA1
SCHEMBL2534140 0.83 EHMT1 (0.70) EHMT1RXFP1ADORA2AADORA2BADORA1

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