SCHEMBL1900946

SCHEMBL1900946

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT1 Q9H9B1 1/20 0.70
▸ RXFP1 Q9HBX9 1/20 0.64
▸ AHCY P23526 3/20 0.64
▸ NADK O95544 1/20 0.63
▸ ADORA1 P30542 3/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ ADORA3 P0DMS8 2/20 0.62
▸ ADORA2A P29274 2/20 0.62
▸ ADORA2B P29275 2/20 0.62
▸ DPP4 P27487 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ SLC28A1 O00337 1/20 0.62
▸ MAP3K7 O43318 1/20 0.62
▸ SLC28A2 O43868 1/20 0.62
▸ GAPDH P04406 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ STAT6 P42226 1/20 0.62
▸ PI4KA P42356 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ PI4K2B Q8TCG2 1/20 0.62

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
SCHEMBL7610250 0.96 EHMT1 (0.71) EHMT1RXFP1NADKPRKACA
SCHEMBL8388991 0.90 DOT1L (0.66) AHCYNADKADORA1SMN1; SMN2ADORA3
SCHEMBL8708990 0.87 ADORA1 (0.71) EHMT1AHCYNADKADORA1SMN1; SMN2
SCHEMBL6569310 0.86 ADORA1 (0.73) AHCYNADKADORA1SMN1; SMN2ADORA3
SCHEMBL8671037 0.85 EHMT1 (0.74) EHMT1RXFP1AHCYNADKADORA1
SCHEMBL8671033 0.85 EHMT1 (0.74) EHMT1RXFP1AHCYNADKADORA1
SCHEMBL29936475 0.85 EHMT1 (0.74) EHMT1RXFP1AHCYNADKADORA1
SCHEMBL13667507 0.85 EHMT1 (0.74) EHMT1AHCYNADKADORA1SMN1; SMN2
SCHEMBL28374784 0.85 EHMT1 (0.74) EHMT1AHCYNADKADORA1SMN1; SMN2
SCHEMBL939593 0.85 ADORA1 (0.71) AHCYNADKADORA1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011057199-A1 COMPOSITIONS FOR TREATING CNS DISORDERS ADENIOS, INC. (US) 2011-05-12 — — WO claimed
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