SCHEMBL28432979

SCHEMBL28432979

[CH2][C@@H]1C[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.51
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALB P02768 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ AHCY P23526 7/20 0.46
▸ STING1 Q86WV6 1/20 0.46

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
SCHEMBL8883524 0.87 AHCY (0.60) ADORA3ALDH1A1LMNAALBMAPK1
SCHEMBL29885678 0.86 AHCY (0.63) ADORA3ALDH1A1LMNAALBMAPK1
SCHEMBL11161954 0.82 AHCY (0.63) ADORA3ALDH1A1LMNAALBMAPK1
SCHEMBL28130881 0.82 AHCY (0.63) ADORA3ALDH1A1LMNAALBMAPK1
SCHEMBL8885578 0.79 ADORA3 (0.48) ADORA3ALDH1A1LMNAALBMAPK1
SCHEMBL9310418 0.78 ALDH1A1 (0.58) ADORA3ALDH1A1LMNAALBMAPK1
SCHEMBL21356436 0.74 ADORA3 (0.50) ADORA3ALDH1A1LMNAALBMAPK1
SCHEMBL8885984 0.74 ADORA3 (0.50) ADORA3ALDH1A1LMNAALBMAPK1
SCHEMBL8537379 0.73 ALDH1A1 (0.56) ADORA3ALDH1A1LMNAALBMAPK1
SCHEMBL8338176 0.73 ALDH1A1 (0.56) ADORA3ALDH1A1LMNAALBMAPK1

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-111511754-A 2'3' cyclic dinucleotides with phosphonate linkages that activate STING transducins 捷克共和国有机化学与生物化学研究所 2020-08-07 — — CN disclosed
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