SCHEMBL10885233

SCHEMBL10885233

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.62
DOT1L Q8TEK3 4/20 0.55
PLA2G2A P14555 1/20 0.52
HIF1A Q16665 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
ADORA2A P29274 4/20 0.50
ADORA2B P29275 4/20 0.50
PRKACA P17612 1/20 0.48

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
SCHEMBL10887149 1.00 AHCY (0.62) AHCYDOT1LPLA2G2AHIF1ATMEM97
SCHEMBL11052636 0.96 AHCY (0.57) AHCYDOT1LPLA2G2AHIF1ATMEM97
SCHEMBL10884634 0.95 AHCY (0.56) AHCYDOT1LPLA2G2AHIF1AADORA2A
SCHEMBL10883811 0.90 AHCY (0.63) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL10887920 0.90 DOT1L (0.62) AHCYDOT1LPLA2G2AHIF1ATMEM97
SCHEMBL10887902 0.88 AHCY (0.52) AHCYDOT1LHIF1APRKACA
SCHEMBL10887376 0.88 ADORA2A (0.52) AHCYADORA2AADORA2B
SCHEMBL10885264 0.88 ADORA2A (0.52) AHCYADORA2AADORA2B
SCHEMBL10889236 0.87 AHCY (0.57) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL10896369 0.87 AHCY (0.52) AHCYDOT1LPLA2G2AHIF1APRKACA

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