SCHEMBL8385440

SCHEMBL8385440

NCCCCCCC(ON)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRM P19623 4/20 0.62
SMS P52788 2/20 0.62
DOT1L Q8TEK3 2/20 0.56
PRMT7 Q9NVM4 1/20 0.56
DNMT3B Q9UBC3 1/20 0.56
NNMT P40261 1/20 0.55
ADORA3 P0DMS8 2/20 0.54
ADORA2A P29274 2/20 0.54
DPP4 P27487 1/20 0.54
MEN1 O00255 1/20 0.54
SLC28A1 O00337 1/20 0.54
MAP3K7 O43318 1/20 0.54
SLC28A2 O43868 1/20 0.54
GAPDH P04406 1/20 0.54
MAPK1 P28482 1/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54
STAT6 P42226 1/20 0.54
PI4KA P42356 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL4071842 0.89 SRM (0.59) SRMSMSNNMTADORA1SMN1; SMN2
SCHEMBL5418087 0.87 SRM (0.57) SRMSMSNNMTADORA1SMN1; SMN2
SCHEMBL6826790 0.87 SRM (0.59) SRMSMSDOT1LPRMT7DNMT3B
SCHEMBL230821 0.80 EHMT1 (0.63) ADORA1SMN1; SMN2EHMT1
SCHEMBL4333891 0.79 EHMT1 (0.59) EHMT1
SCHEMBL397800 0.79 AHCY (0.68) DOT1LADORA3ADORA2ADPP4MEN1
SCHEMBL31680251 0.79 AHCY (0.68) DOT1LADORA3ADORA2ADPP4MEN1
SCHEMBL30211841 0.79 P2RY2 (0.59) ADORA1SMN1; SMN2EHMT1
SCHEMBL29126399 0.79 P2RY2 (0.59) ADORA1SMN1; SMN2EHMT1
SCHEMBL23982410 0.78 ADORA3 (0.67) DOT1LADORA3ADORA2ADPP4MEN1

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-5928862-A CONTACTING SAMPLE WITH LABELED POLYNUCLEOTIDE PROBES CAPABLE OF TWO POSTIONS, EITHER BOUND TO EACH OTHER WHERE LABELS CAN INTERACT OR ONE BOUND TO TARGET IN SAMPLE; MONITORING FOR SIGNAL INDICATIVE OF PRESENCE OF TARGET AMOCO CORPORATION (US) 1999-07-27 US disclosed
EP-0232967-B1 COMPETITIVE HOMOGENEOUS ASSAY AMOCO CORPORATION (US) 1993-04-28 EP disclosed
EP-0232967-A2 Competitive homogeneous Assay AMOCO CORPORATION (US) 1987-08-19 EP disclosed