SCHEMBL28707688

SCHEMBL28707688

OC[C@H]1O[C@@H](n2ncc3c(NC(c4ccccc4)(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 8/20 0.52
▸ LMNA P02545 2/20 0.49
▸ SLC29A1 Q99808 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ NPY1R P25929 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ ADORA3 P0DMS8 2/20 0.48

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
SCHEMBL8975931 0.85 ADK (0.71) ADKLMNASLC29A1ALDH1A1GLA
SCHEMBL30047434 0.82 ADA (0.52) ADKLMNAALDH1A1SMN1; SMN2TP53
SCHEMBL24686959 0.81 ADK (0.51) ADKLMNASLC29A1ALDH1A1GLA
SCHEMBL29601078 0.81 ATG7 (0.53) ADKLMNASLC29A1ALDH1A1SMN1; SMN2
SCHEMBL29600893 0.81 ADK (0.58) ADKRXFP1
SCHEMBL29273714 0.80 SLC29A1 (0.64) ADKSLC29A1
SCHEMBL30343437 0.80 SLC29A1 (0.64) ADKSLC29A1
SCHEMBL11207738 0.77 ADA (0.54) ADKLMNASLC29A1ALDH1A1SMN1; SMN2
SCHEMBL6672454 0.77 ADA (0.54) ADKLMNASLC29A1ALDH1A1SMN1; SMN2
SCHEMBL6671707 0.77 ADA (0.54) ADKLMNASLC29A1ALDH1A1SMN1; SMN2

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
CN-114025771-A Glycerol-mannose-heptose ADP derivatives for modulating immune response 上海药苑生物科技有限公司 2022-02-08 — — CN disclosed
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