SCHEMBL29664978

SCHEMBL29664978

O=C(Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1F)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 4/20 0.51
P2RY14 Q15391 4/20 0.51
NT5E P21589 2/20 0.51
LMNA P02545 3/20 0.47
MTOR P42345 2/20 0.47
THRB P10828 1/20 0.47
MDM2 Q00987 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
POLB P06746 1/20 0.45
GMNN O75496 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
DNMT1 P26358 1/20 0.45
THPO P40225 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL2985316 0.88 P2RY6 (0.51) P2RY6P2RY14NT5ELMNAMTOR
SCHEMBL2985322 0.88 P2RY6 (0.51) P2RY6P2RY14NT5ELMNAMTOR
SCHEMBL9217842 0.86 LMNA (0.60) P2RY6P2RY14NT5ELMNAHBB
SCHEMBL9220862 0.86 LMNA (0.60) P2RY6P2RY14NT5ELMNAHBB
SCHEMBL31621213 0.85 P2RY6 (0.47) P2RY6P2RY14NT5ELMNAMTOR
SCHEMBL29860409 0.82 LMNA (0.59) P2RY6P2RY14NT5ELMNAMTOR
SCHEMBL2802755 0.82 LMNA (0.53) P2RY6P2RY14NT5ELMNAMTOR
SCHEMBL26320655 0.82 LMNA (0.53) P2RY6P2RY14NT5ELMNAMTOR
SCHEMBL20668768 0.82 LMNA (0.53) P2RY6P2RY14NT5ELMNAMTOR
SCHEMBL20668770 0.82 LMNA (0.53) P2RY6P2RY14NT5ELMNAMTOR

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-2022123501-A1 PROTECTED DEOXYDIDEHYDRO-NUCLEOSIDES VICTORIA LINK LIMITED (NZ) 2022-06-16 WO disclosed