SCHEMBL10886131

SCHEMBL10886131

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)O)[C@@H](NC(=O)CCc2ccccc2)[C@H]1O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 6/20 0.63
▸ HIF1A Q16665 1/20 0.62
▸ TMEM97 Q5BJF2 1/20 0.62
▸ SIGMAR1 Q99720 1/20 0.62
▸ PRKACA P17612 1/20 0.58
▸ GNMT Q14749 1/20 0.55
▸ ADORA2A P29274 2/20 0.54
▸ HSP90B1 P14625 1/20 0.54
▸ ADORA2B P29275 1/20 0.54
▸ ADORA3 P0DMS8 2/20 0.54
▸ ADORA1 P30542 1/20 0.53

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
SCHEMBL10886624 0.91 AHCY (0.65) AHCYHIF1ATMEM97SIGMAR1PRKACA
SCHEMBL10884413 0.90 AHCY (0.67) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL11054727 0.86 DOT1L (0.65) AHCYHIF1ATMEM97SIGMAR1PRKACA
SCHEMBL10886149 0.86 AHCY (0.63) AHCYHIF1ATMEM97SIGMAR1GNMT
SCHEMBL11202218 0.86 ADORA2A (0.54) ADORA2AADORA2BADORA3
SCHEMBL10886194 0.86 ADORA2A (0.54) ADORA2AADORA2BADORA3
SCHEMBL11060550 0.84 AHCY (0.60) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL11203369 0.84 NPEPPS (0.64) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL10889028 0.84 NPEPPS (0.64) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL10883740 0.84 NPEPPS (0.64) AHCYHIF1ATMEM97SIGMAR1ADORA2A

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-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 — — EP disclosed
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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