SCHEMBL9805221

SCHEMBL9805221

O=c1[nH]cnc2c(N[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ncnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.51
▸ GSK3B P49841 1/20 0.44
▸ PNP P00491 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 3/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ SLC29A1 Q99808 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CA1 P00915 1/20 0.38

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
SCHEMBL7764674 0.84 ADK (0.54) ADKGSK3BTSHRCA1CA2
SCHEMBL9805128 0.83 GSK3B (0.49) ADKGSK3BPNPMEN1KMT2A
SCHEMBL9805278 0.81 ALDH1A1 (0.41) ADKGSK3BPNPMEN1KMT2A
SCHEMBL9805157 0.80 ADK (0.57) ADKMEN1KMT2ATSHRADORA3
SCHEMBL9805249 0.80 ADK (0.51) ADKMEN1KMT2ATSHRADORA3
SCHEMBL9805237 0.79 ADK (0.65) ADKMEN1KMT2AADORA3ADORA1
SCHEMBL9805553 0.79 ADK (0.65) ADKMEN1KMT2AADORA3ADORA1
SCHEMBL6039895 0.76 ADK (0.50) ADKMEN1KMT2ATSHRADORA1
SCHEMBL6039883 0.76 ADK (0.50) ADKMEN1KMT2ATSHRADORA1
SCHEMBL29466237 0.76 ADK (0.50) ADKMEN1KMT2ATSHRADORA1

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-5041542-A Antitumor-anticarcinogenic agents NUCLEIC ACID RESEARCH INSTITUTE (US) 1991-08-20 — — US disclosed
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