SCHEMBL25757899

SCHEMBL25757899

CCOC1C(O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 5/20 0.60
HPGD P15428 2/20 0.57
NT5E P21589 1/20 0.55
ADORA2A P29274 3/20 0.53
ADORA2B P29275 2/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA1 P30542 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
GSK3A P49840 2/20 0.52
RPS6KA3 P51812 2/20 0.52
MAPK14 Q16539 2/20 0.52
PNP P00491 2/20 0.52
TGM2 P21980 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
SCHEMBL16359959 1.00 HINT1 (0.60) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL26630706 1.00 HINT1 (0.60) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL26630708 1.00 HINT1 (0.60) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL27351 0.93 HINT1 (0.59) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL27352 0.93 HINT1 (0.59) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL7614834 0.92 HPGD (0.59) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL28805008 0.92 HPGD (0.59) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL7614827 0.92 HPGD (0.59) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL27659 0.92 ADORA2A (0.58) HINT1HPGDNT5EADORA2AADORA2B
SCHEMBL27658 0.92 ADORA2A (0.58) 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-2023122316-A2 SPLICE SWITCH OLIGONUCLEOTIDE (SSO) MOLECULES FOR TARGETING β-CATENIN AND USES THEREOF ALIGOS THERAPEUTICS, INC. (US) 2023-06-29 WO disclosed