SCHEMBL28637076

SCHEMBL28637076

O=c1[nH]ccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.47
HPGD P15428 1/20 0.46
STING1 Q86WV6 2/20 0.42
LMNA P02545 2/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
DNMT1 P26358 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 1/20 0.41
HBB P68871 1/20 0.41
PMP22 Q01453 1/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA1 P30542 2/20 0.41
GSK3A P49840 2/20 0.41
RPS6KA3 P51812 2/20 0.41

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
SCHEMBL18490404 1.00 PAX8 (0.47) PAX8HPGDSTING1LMNAGMNN
SCHEMBL27216191 1.00 PAX8 (0.47) PAX8HPGDSTING1LMNAGMNN
SCHEMBL22577506 1.00 PAX8 (0.47) PAX8HPGDSTING1LMNAGMNN
SCHEMBL18510819 0.90 STING1 (0.41) PAX8HPGDSTING1GSK3ARPS6KA3
SCHEMBL25807922 0.90 STING1 (0.41) PAX8HPGDSTING1GSK3ARPS6KA3
SCHEMBL11123739 0.90 PAX8 (0.58) PAX8HPGDLMNAGMNNALDH1A1
SCHEMBL18490525 0.90 PAX8 (0.58) PAX8HPGDLMNAGMNNALDH1A1
SCHEMBL25680068 0.82 PAX8 (0.47) PAX8HPGDSTING1GSK3ARPS6KA3
SCHEMBL25680062 0.81 STING1 (0.42) PAX8HPGDSTING1GSK3ARPS6KA3
SCHEMBL22883167 0.81 P2RX3 (0.59) PAX8HPGDSTING1LMNAALDH1A1

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
CN-109694397-B Cyclic dinucleotide compounds, preparation method and application thereof 上海弘翊生物科技有限公司 2021-08-31 CN disclosed