SCHEMBL16807574

SCHEMBL16807574

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](C)C1C

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 7/20 0.63
▸ GSK3A P49840 2/20 0.57
▸ RPS6KA3 P51812 2/20 0.57
▸ MAPK14 Q16539 2/20 0.57
▸ PNP P00491 1/20 0.55
▸ NT5E P21589 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 1/20 0.51
▸ TGM2 P21980 1/20 0.50
▸ KRAS P01116 3/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49
▸ FUT5 Q11128 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TDP1 Q9NUW8 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
SCHEMBL26208942 0.91 HINT1 (0.59) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL217117 0.88 HINT1 (0.80) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL13296251 0.87 ALDH1A1 (0.68) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL278167 0.87 ALDH1A1 (0.68) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL4386265 0.87 ALDH1A1 (0.68) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL25407962 0.87 ALDH1A1 (0.68) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL14144174 0.87 ALDH1A1 (0.68) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL13462039 0.87 ALDH1A1 (0.68) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL1120690 0.87 ALDH1A1 (0.68) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL3422978 0.87 ALDH1A1 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015089511-A2 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2015-06-18 — — WO disclosed
Send feedback