SCHEMBL11054733

SCHEMBL11054733

NCCC(=O)N(C(=O)OCc1ccccc1)[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 10/20 0.68
▸ DOT1L Q8TEK3 4/20 0.57
▸ HIF1A Q16665 1/20 0.55
▸ TMEM97 Q5BJF2 1/20 0.55
▸ SIGMAR1 Q99720 1/20 0.55
▸ HSP90B1 P14625 1/20 0.54
▸ PRKACA P17612 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ GNMT Q14749 1/20 0.49

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
SCHEMBL10883817 0.88 AHCY (0.66) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL10884525 0.88 AHCY (0.52) AHCYDOT1LADORA3ADORA2A
SCHEMBL10887158 0.87 AHCY (0.65) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL10885247 0.87 AHCY (0.65) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL11052640 0.83 AHCY (0.60) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL10884643 0.82 AHCY (0.59) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL10886173 0.79 AHCY (0.64) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL10885229 0.76 ADORA2A (0.52) AHCYADORA3ADORA2A
SCHEMBL10887916 0.76 AHCY (0.54) AHCYDOT1LHIF1AHSP90B1
SCHEMBL11420629 0.76 AHCY (0.73) AHCYDOT1LHIF1ATMEM97SIGMAR1

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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