SCHEMBL22551395

SCHEMBL22551395

C[C@@]1(n2cnc3c(NN=O)ncnc32)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.42
▸ ADORA1 P30542 4/20 0.42
▸ SLC29A1 Q99808 1/20 0.41

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
SCHEMBL41364 0.81 PI4KA (0.43) ADORA3ADORA1SLC29A1
SCHEMBL14586077 0.81 PI4KA (0.41) ADORA3ADORA1SLC29A1
SCHEMBL13268856 0.81 ADORA3 (0.62) ADORA3ADORA1SLC29A1
SCHEMBL13268986 0.81 ADORA3 (0.61) ADORA3ADORA1SLC29A1
SCHEMBL28165438 0.81 ADORA1 (0.45) ADORA3ADORA1SLC29A1
SCHEMBL13061814 0.80 PI4KA (0.55) ADORA3ADORA1SLC29A1
SCHEMBL18537398 0.80 PI4KA (0.55) ADORA3ADORA1SLC29A1
SCHEMBL16258664 0.80 PI4KA (0.55) ADORA3ADORA1SLC29A1
SCHEMBL7186386 0.80 ADORA2A (0.42) ADORA3ADORA1SLC29A1
SCHEMBL18680910 0.80 PI4KA (0.55) ADORA3ADORA1SLC29A1

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
EP-3725895-A1 DETECTION OF NUCLEIC ACID MODIFICATIONS BY USING CHEMICAL DEAMINATION Helm, Mark (DE) 2020-10-21 — — EP disclosed
Send feedback