SCHEMBL7159486

SCHEMBL7159486

CC(C)C(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H]([S+](C)[O-])[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 7/20 0.62
GSK3A P49840 2/20 0.57
RPS6KA3 P51812 2/20 0.57
MAPK14 Q16539 2/20 0.57
PNP P00491 1/20 0.56
NT5E P21589 1/20 0.53
TGM2 P21980 1/20 0.50
KRAS P01116 6/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48

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
SCHEMBL1611244 0.89 HINT1 (0.77) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL6363921 0.85 HINT1 (0.65) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL7151774 0.84 HINT1 (0.63) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL5663210 0.83 HINT1 (0.61) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL4733243 0.83 HINT1 (0.76) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL8450059 0.81 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL6397385 0.81 HINT1 (0.61) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL2337631 0.81 HINT1 (0.61) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL10446658 0.80 PNP (0.58) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL217117 0.80 HINT1 (0.80) HINT1GSK3ARPS6KA3MAPK14PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187240-A1 2' -modified oligonucleotides ISIS PHARMACEUTICALS, INC. 2003-10-02 US disclosed
US-20030004325-A1 Sugar modified oligonucleotides ISIS PHARMACEUTICALS, INC. 2003-01-02 US disclosed
US-6399754-B1 CONTAINING SULFOPHOSPHATE GROUP ISIS PHARMACEUTICALS, INC. 2002-06-04 US disclosed