SCHEMBL11054727

SCHEMBL11054727

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)O)[C@@H](NC(=O)CCNC(=O)OCc2ccccc2)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 4/20 0.65
▸ AHCY P23526 5/20 0.64
▸ PRKACA P17612 3/20 0.55
▸ HIF1A Q16665 1/20 0.54
▸ TMEM97 Q5BJF2 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54
▸ CARM1 Q86X55 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ ADORA2B P29275 1/20 0.50
▸ ADORA1 P30542 1/20 0.50

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
SCHEMBL10884518 0.88 DOT1L (0.50) DOT1LAHCYADORA2AADORA2B
SCHEMBL10886131 0.86 AHCY (0.63) AHCYPRKACAHIF1ATMEM97SIGMAR1
SCHEMBL10887920 0.85 DOT1L (0.62) DOT1LAHCYPRKACAHIF1ATMEM97
SCHEMBL10886624 0.85 AHCY (0.65) AHCYPRKACAHIF1ATMEM97SIGMAR1
SCHEMBL10883811 0.84 AHCY (0.63) DOT1LAHCYHIF1ATMEM97SIGMAR1
SCHEMBL10884413 0.84 AHCY (0.67) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL10887149 0.84 AHCY (0.62) DOT1LAHCYPRKACAHIF1ATMEM97
SCHEMBL10885233 0.84 AHCY (0.62) DOT1LAHCYPRKACAHIF1ATMEM97
SCHEMBL10883635 0.82 AHCY (0.62) DOT1LAHCYPRKACAHIF1ATMEM97
SCHEMBL10887902 0.80 AHCY (0.52) DOT1LAHCYPRKACAHIF1ACARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 — — US disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 — — EP disclosed
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