SCHEMBL16486809

SCHEMBL16486809

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.69
ADORA3 P0DMS8 2/20 0.69
DPP4 P27487 1/20 0.69
MEN1 O00255 1/20 0.69
SLC28A1 O00337 1/20 0.69
MAP3K7 O43318 1/20 0.69
SLC28A2 O43868 1/20 0.69
GAPDH P04406 1/20 0.69
MAPK1 P28482 1/20 0.69
ADORA2A P29274 1/20 0.69
ADORA2B P29275 1/20 0.69
STAT6 P42226 1/20 0.69
PI4KA P42356 1/20 0.69
KMT2A Q03164 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
PI4K2B Q8TCG2 1/20 0.69
DOT1L Q8TEK3 1/20 0.69
SLC29A1 Q99808 1/20 0.69
PI4K2A Q9BTU6 1/20 0.69
SLC28A3 Q9HAS3 1/20 0.69

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
SCHEMBL16487371 0.94 EHMT1 (0.71) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL17910030 0.93 EHMT1 (0.73) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL9550940 0.92 EGFR (0.62) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL17909992 0.90 ADORA2A (0.66) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL6897965 0.88 DOT1L (0.76) KMT2ADOT1LEHMT1GNMTAHCY
SCHEMBL26808204 0.88 ADORA3 (0.67) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL26808295 0.88 ADORA3 (0.67) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL1434130 0.87 ADORA1 (0.67) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL10600555 0.86 NNMT (0.69) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL17909997 0.86 ADORA1 (0.64) ADORA1ADORA3DPP4MEN1SLC28A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160201063-A1 EPIGENETIC REGULATORS OF FRATAXIN RANA THERAPEUTICS, INC. (US) 2016-07-14 US disclosed
US-20160201063-A1 EPIGENETIC REGULATORS OF FRATAXIN RANA THERAPEUTICS, INC. (US) 2016-07-14 US disclosed
US-20160201063-A1 EPIGENETIC REGULATORS OF FRATAXIN RANA THERAPEUTICS, INC. (US) 2016-07-14 US disclosed
EP-3033423-A1 EPIGENETIC REGULATORS OF FRATAXIN Rana Therapeutics Inc. (US) 2016-06-22 EP disclosed
WO-2015023938-A1 EPIGENETIC REGULATORS OF FRATAXIN RANA THERAPEUTICS, INC. (US) 2015-02-19 WO disclosed
WO-2015023938-A1 EPIGENETIC REGULATORS OF FRATAXIN RANA THERAPEUTICS, INC. (US) 2015-02-19 WO disclosed