SCHEMBL25868882

SCHEMBL25868882

CCCCCCCCCCCCCCCCO[C@@H]1[C@H](OC)[C@@H](COCCC)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 5/20 0.49
HPGD P15428 1/20 0.46
NT5E P21589 1/20 0.46
GSK3A P49840 2/20 0.43
RPS6KA3 P51812 2/20 0.43
MAPK14 Q16539 2/20 0.43
TGM2 P21980 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
FUT5 Q11128 1/20 0.42
PNP P00491 1/20 0.42
KRAS P01116 4/20 0.42

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
SCHEMBL25868890 0.93 HINT1 (0.51) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL8623260 0.92 HINT1 (0.53) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL6420501 0.87 HINT1 (0.58) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL18349676 0.86 HINT1 (0.49) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL12590113 0.83 HINT1 (0.52) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL12015167 0.83 HINT1 (0.52) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL12646735 0.83 HINT1 (0.52) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL27099274 0.83 NT5E (0.50) HINT1HPGDNT5ETGM2TAS1R3
SCHEMBL27352780 0.83 NT5E (0.50) HINT1HPGDNT5ETGM2TAS1R3
SCHEMBL6241925 0.83 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14

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
US-20230212576-A1 MAPT RNA INTERFERENCE AGENTS ELI LILLY AND COMPANY 2023-07-06 US disclosed