SCHEMBL9358201

SCHEMBL9358201

CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OC1CCCCO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 3/20 0.51
ADORA2A P29274 3/20 0.51
PMP22 Q01453 2/20 0.51
ADORA2B P29275 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
ADORA3 P0DMS8 1/20 0.51
GAA P10253 1/20 0.51
ADORA1 P30542 1/20 0.51
HTT P42858 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
SLC29A1 Q99808 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
HIF1A Q16665 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50

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
SCHEMBL9353919 0.86 MEN1 (0.53) MEN1KMT2ATSHRADORA2APMP22
SCHEMBL29607926 0.83 CYP1A2 (0.64) MEN1KMT2ARXFP1SLC29A1SMN1; SMN2
SCHEMBL3997278 0.83 CYP1A2 (0.64) MEN1KMT2ARXFP1SLC29A1SMN1; SMN2
SCHEMBL23092238 0.83 CYP1A2 (0.64) MEN1KMT2ARXFP1SLC29A1SMN1; SMN2
SCHEMBL6536451 0.83 CYP1A2 (0.64) MEN1KMT2ARXFP1SLC29A1SMN1; SMN2
SCHEMBL6474066 0.82 SLC29A1 (0.68) ADORA2AADORA2BSLC29A1
SCHEMBL6474053 0.82 SLC29A1 (0.68) ADORA2AADORA2BSLC29A1
SCHEMBL9218364 0.81 ADORA1 (0.62) MEN1KMT2AADORA2AADORA2BADORA3
SCHEMBL22875578 0.81 ADORA1 (0.62) MEN1KMT2AADORA2AADORA2BADORA3
SCHEMBL9354242 0.78 PDE4A (0.51) MEN1KMT2AADORA2AADORA2BRXFP1

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-0355899-B1 Nucleotide derivatives NIPPON SHINYAKU CO LTD (JP) 1994-11-02 EP disclosed
EP-0355899-A2 Nucleotide derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1990-02-28 EP disclosed