SCHEMBL8028285

SCHEMBL8028285

C#CCN1CN=c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OC)=C1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA3 P0DMS8 5/20 0.37
ADORA2A P29274 4/20 0.37
ADORA1 P30542 4/20 0.37
ADORA2B P29275 1/20 0.34
ADA P00813 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
AMPD3 Q01432 2/20 0.33

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
SCHEMBL8029815 0.89 ALDH1A1 (0.43) MEN1KMT2AADORA3ADORA2AADORA1
SCHEMBL6137853 0.78 ALDH1A1 (0.46) MEN1KMT2AADORA3ADORA2AADORA1
SCHEMBL5950179 0.77 MEN1 (0.46) MEN1KMT2AADORA3ADORA2AADORA1
SCHEMBL8018540 0.77 ATIC (0.48) ADORA1SMN1; SMN2
SCHEMBL3287568 0.75 ALDH1A1 (0.43) ADORA3ADORA1ADAKDM4EALDH1A1
SCHEMBL8028076 0.74 P2RX3 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL41683 0.73 KDM4E (0.47) MEN1KMT2AADORA3ADORA2AADORA1
SCHEMBL21356432 0.73 PDE2A (0.44) ADORA3ADORA2AADORA1ADAKDM4E
SCHEMBL3819352 0.73 SLC29A1 (0.47) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL8028292 0.71 ADA (0.44) MEN1KMT2AADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6130324-A HAVING MODIFIED PURINE NUCLEOTIDES; VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS AND HUMAN CYTOMEGALOVIRUS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2000-10-10 US disclosed