SCHEMBL17910030

SCHEMBL17910030

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCCCc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT1 Q9H9B1 1/20 0.73
NNMT P40261 1/20 0.69
GNMT Q14749 1/20 0.66
ADORA2A P29274 6/20 0.65
ADORA1 P30542 6/20 0.65
ADORA3 P0DMS8 4/20 0.65
ADORA2B P29275 3/20 0.65
SLC29A1 Q99808 2/20 0.65
KMT2A Q03164 2/20 0.65
DPP4 P27487 1/20 0.65
MEN1 O00255 1/20 0.65
SLC28A1 O00337 1/20 0.65
MAP3K7 O43318 1/20 0.65
SLC28A2 O43868 1/20 0.65
GAPDH P04406 1/20 0.65
MAPK1 P28482 1/20 0.65
STAT6 P42226 1/20 0.65
PI4KA P42356 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
PI4K2B Q8TCG2 1/20 0.65

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 0.97 EHMT1 (0.71) EHMT1NNMTGNMTADORA2AADORA1
SCHEMBL16486809 0.93 ADORA1 (0.69) EHMT1NNMTGNMTADORA2AADORA1
SCHEMBL13269089 0.88 ADORA2A (0.64) GNMTADORA2AADORA1ADORA3ADORA2B
SCHEMBL6897965 0.85 DOT1L (0.76) EHMT1NNMTGNMTKMT2ADOT1L
SCHEMBL9550940 0.85 EGFR (0.62) EHMT1GNMTADORA2AADORA1ADORA3
SCHEMBL1434130 0.84 ADORA1 (0.67) GNMTADORA2AADORA1ADORA3ADORA2B
SCHEMBL16486895 0.84 EHMT1 (1.00) EHMT1NNMTADORA2AADORA1ADORA3
SCHEMBL10600555 0.84 NNMT (0.69) EHMT1NNMTADORA2AADORA1ADORA3
SCHEMBL14696727 0.84 NNMT (0.78) EHMT1NNMTGNMTADORA2AADORA1
SCHEMBL26808295 0.83 ADORA3 (0.67) GNMTADORA2AADORA1ADORA3ADORA2B

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
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