SCHEMBL4648689

SCHEMBL4648689

CCN(CC)CC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(O)I)[C@@H](O)[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.59
DOT1L Q8TEK3 2/20 0.58
ADORA3 P0DMS8 3/20 0.58
ADORA2A P29274 2/20 0.58
ADORA2B P29275 2/20 0.58
ADORA1 P30542 2/20 0.58
KMT2A Q03164 2/20 0.58
DPP4 P27487 1/20 0.58
MEN1 O00255 1/20 0.58
SLC28A1 O00337 1/20 0.58
MAP3K7 O43318 1/20 0.58
SLC28A2 O43868 1/20 0.58
GAPDH P04406 1/20 0.58
MAPK1 P28482 1/20 0.58
STAT6 P42226 1/20 0.58
PI4KA P42356 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PI4K2B Q8TCG2 1/20 0.58
SLC29A1 Q99808 1/20 0.58
PI4K2A Q9BTU6 1/20 0.58

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
SCHEMBL3478038 0.92 AHCY (0.65) AHCYDOT1LADORA3ADORA2AADORA2B
SCHEMBL18026180 0.85 ADORA3 (0.63) AHCYDOT1LADORA3ADORA2AADORA2B
SCHEMBL21413842 0.85 ADORA3 (0.63) AHCYDOT1LADORA3ADORA2AADORA2B
SCHEMBL800618 0.85 ADORA3 (0.63) AHCYDOT1LADORA3ADORA2AADORA2B
SCHEMBL21837298 0.85 ADORA3 (0.63) AHCYDOT1LADORA3ADORA2AADORA2B
SCHEMBL397800 0.84 AHCY (0.68) AHCYDOT1LADORA3ADORA2AADORA2B
SCHEMBL31680251 0.84 AHCY (0.68) AHCYDOT1LADORA3ADORA2AADORA2B
SCHEMBL29042658 0.84 TSHR (0.62) AHCYDOT1LADORA3ADORA2AADORA2B
SCHEMBL22326787 0.83 PRMT5 (0.64) AHCYDOT1LADORA3ADORA2AADORA2B
SCHEMBL21413837 0.83 PRMT5 (0.64) AHCYDOT1LADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 WO disclosed