SCHEMBL3969244

SCHEMBL3969244

CC(C)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 4/20 0.56
HPGD P15428 2/20 0.56
NT5E P21589 1/20 0.54
ADORA2A P29274 2/20 0.53
ADORA2B P29275 2/20 0.53
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
GSK3A P49840 2/20 0.51
RPS6KA3 P51812 2/20 0.51
MAPK14 Q16539 2/20 0.51
PNP P00491 1/20 0.51
TGM2 P21980 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL25525 0.92 HPGD (0.56) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL16198946 0.89 HPGD (0.61) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL12031119 0.89 HPGD (0.61) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL12150640 0.89 HPGD (0.61) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL26515 0.89 HPGD (0.61) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL16360143 0.89 HPGD (0.61) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL12300426 0.89 HPGD (0.61) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL18512866 0.89 HPGD (0.61) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL3713950 0.89 HPGD (0.61) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL222316 0.89 HPGD (0.61) HINT1HPGDNT5EADORA2AADORA2B

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-2009043096-A1 IMPROVED METHOD FOR MUTAGENESIS ARANA THERAPEUTICS (VIC) PTY LTD (AU) 2009-04-09 WO disclosed