SCHEMBL11041134

SCHEMBL11041134

NCCCC(CCN)NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRM P19623 5/20 0.64
SMS P52788 2/20 0.64
DOT1L Q8TEK3 3/20 0.63
DNMT3B Q9UBC3 2/20 0.63
PRMT7 Q9NVM4 1/20 0.63
DPP4 P27487 1/20 0.61
MEN1 O00255 1/20 0.61
SLC28A1 O00337 1/20 0.61
MAP3K7 O43318 1/20 0.61
SLC28A2 O43868 1/20 0.61
GAPDH P04406 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
MAPK1 P28482 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA2B P29275 1/20 0.61
ADORA1 P30542 1/20 0.61
STAT6 P42226 1/20 0.61
PI4KA P42356 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL11042510 0.97 SRM (0.68) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL11044260 0.96 SRM (0.69) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL11037776 0.96 SRM (0.69) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL11040828 0.96 SRM (0.69) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL11040771 0.96 SRM (0.69) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL11043633 0.96 DOT1L (0.66) SRMSMSDOT1LDNMT3BPRMT7
Hydrochloric Acid SCHEMBL11043510 0.95 SRM (0.68) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL11165247 0.92 DOT1L (0.64) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL3400828 0.87 NNMT (0.64) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL29941424 0.87 NNMT (0.64) SRMSMSDOT1LDNMT3BPRMT7

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-0037310-B1 SUBSTITUTED DEOXYADENOSINE DERIVATIVES MERRELL TORAUDE ET COMPAGNIE (FR) 1984-05-09 EP disclosed
US-4374128-A TREATING RAPID CELL PROLIFERATION MERRELL TORAUDE ET COMPAGNIE (FR) 1983-02-15 US disclosed
EP-0037310-A1 Substituted deoxyadenosine derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1981-10-07 EP disclosed