SCHEMBL19942001

SCHEMBL19942001

C[C@@H]1[C@H](C)[C@@H](CCN=[N+]=[N-])O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 3/20 0.63
▸ ALDH1A1 P00352 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ ADORA3 P0DMS8 3/20 0.51
▸ PI4KA P42356 2/20 0.51
▸ PI4K2B Q8TCG2 2/20 0.51
▸ PI4K2A Q9BTU6 2/20 0.51
▸ PI4KB Q9UBF8 2/20 0.51
▸ DPP4 P27487 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ SLC28A1 O00337 1/20 0.51
▸ MAP3K7 O43318 1/20 0.51
▸ SLC28A2 O43868 1/20 0.51
▸ GAPDH P04406 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA2B P29275 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ STAT6 P42226 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL13986301 0.90 AHCY (0.74) AHCYALDH1A1HIF1AADORA3PI4KA
SCHEMBL13986300 0.82 ADORA3 (0.59) AHCYADORA3PI4KAPI4K2BPI4K2A
SCHEMBL14030736 0.82 ADORA3 (0.59) AHCYADORA3PI4KAPI4K2BPI4K2A
SCHEMBL13449217 0.82 ADORA3 (0.59) AHCYADORA3PI4KAPI4K2BPI4K2A
SCHEMBL13020615 0.81 ADORA3 (0.72) AHCYALDH1A1HIF1AADORA3PI4KA
SCHEMBL18521950 0.79 ADORA3 (0.56) AHCYADORA3PI4KAPI4K2BPI4K2A
SCHEMBL15371600 0.77 AHCY (1.00) AHCYALDH1A1HIF1AADORA3PI4KA
SCHEMBL16682237 0.77 AHCY (1.00) AHCYALDH1A1HIF1AADORA3PI4KA
SCHEMBL26807050 0.77 AHCY (1.00) AHCYALDH1A1HIF1AADORA3PI4KA
SCHEMBL21565169 0.77 AHCY (0.61) AHCYALDH1A1HIF1AADORA3PI4KA

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
WO-2018045204-A1 CYCLIC DINUCLEOTIDE ANALOGS FOR TREATING CONDITIONS ASSOCIATED WITH STING (STIMULATOR OF INTERFERON GENES) ACTIVITY IFM THERAPEUTICS, INC (US) 2018-03-08 — — WO disclosed
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