SCHEMBL5999289

SCHEMBL5999289

Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)N(c3ccccc3)c3ccccc3)C[C@H]2O)c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 7/20 0.55
GSK3A P49840 2/20 0.51
RPS6KA3 P51812 2/20 0.51
MAPK14 Q16539 2/20 0.51
TAAR1 Q96RJ0 1/20 0.48
PNP P00491 1/20 0.47
NT5E P21589 2/20 0.46
POLB P06746 1/20 0.45
TGM2 P21980 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
KRAS P01116 1/20 0.43
STING1 Q86WV6 1/20 0.43

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
SCHEMBL9545419 0.86 POLB (0.60) HINT1GSK3ARPS6KA3MAPK14TAAR1
SCHEMBL784432 0.86 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14TAAR1
SCHEMBL7254452 0.82 TYMP (0.56) HINT1GSK3ARPS6KA3MAPK14TAAR1
SCHEMBL7254450 0.82 TYMP (0.56) HINT1GSK3ARPS6KA3MAPK14TAAR1
SCHEMBL646778 0.82 HINT1 (0.54) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL4370987 0.81 HINT1 (0.55) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL13833321 0.80 ADORA3 (0.53) HINT1PNPNT5EPOLBTGM2
SCHEMBL9200583 0.80 ADORA3 (0.53) HINT1PNPNT5EPOLBTGM2
SCHEMBL12031117 0.80 ADORA3 (0.53) HINT1PNPNT5EPOLBTGM2
SCHEMBL18759056 0.80 ADORA3 (0.53) HINT1PNPNT5EPOLBTGM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694842-A1 RNA AMIDATES AND THIOAMIDATES FOR RNAI Geron Corporation (US) 2006-08-30 EP disclosed
WO-2005047506-A1 RNA AMIDATES AND THIOAMIDATES FOR RNAI GERON CORPORATION (US) 2005-05-26 WO disclosed