SCHEMBL10885013

SCHEMBL10885013

CC(C)(C)OC(=O)c1ccccc1NCC(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 6/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ ADORA3 P0DMS8 3/20 0.49
▸ ADORA2B P29275 2/20 0.47
▸ ADORA1 P30542 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HSP90B1 P14625 2/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ TMIGD3 P0DMS9 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL10885148 0.88 ADORA2A (0.45) ADORA3ADORA2BADORA2A
SCHEMBL10886149 0.84 AHCY (0.63) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL10884776 0.81 AHCY (0.51) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL10886624 0.80 AHCY (0.65) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL10884413 0.79 AHCY (0.67) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL10886131 0.78 AHCY (0.63) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL11060550 0.77 AHCY (0.60) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL10884755 0.77 AHCY (0.67) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL11054727 0.74 DOT1L (0.65) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL10886571 0.74 AHCY (0.63) AHCYHIF1ATMEM97SIGMAR1ADORA3

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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