SCHEMBL11123739

SCHEMBL11123739

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.58
HPGD P15428 1/20 0.56
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.52
GMNN O75496 1/20 0.52
ALDH1A1 P00352 1/20 0.52
NFKB1 P19838 1/20 0.52
DNMT1 P26358 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
BLM P54132 1/20 0.52
HBB P68871 1/20 0.52
PMP22 Q01453 1/20 0.52
DPP4 P27487 1/20 0.50
MEN1 O00255 1/20 0.50
SLC28A1 O00337 1/20 0.50
MAP3K7 O43318 1/20 0.50
SLC28A2 O43868 1/20 0.50

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
SCHEMBL18490525 1.00 PAX8 (0.58) PAX8HPGDLMNATP53GMNN
SCHEMBL28637076 0.90 PAX8 (0.47) PAX8HPGDLMNATP53GMNN
SCHEMBL18490404 0.90 PAX8 (0.47) PAX8HPGDLMNATP53GMNN
SCHEMBL27216191 0.90 PAX8 (0.47) PAX8HPGDLMNATP53GMNN
SCHEMBL22577506 0.90 PAX8 (0.47) PAX8HPGDLMNATP53GMNN
SCHEMBL25680068 0.89 PAX8 (0.47) PAX8HPGDSMN1; SMN2
SCHEMBL11122063 0.86 ADORA2A (0.50) PAX8HPGDLMNATP53DPP4
SCHEMBL9347293 0.86 ADORA2A (0.50) PAX8HPGDLMNATP53DPP4
SCHEMBL11122756 0.84 P2RX3 (0.60) ADORA1SMN1; SMN2ATIC
SCHEMBL25680062 0.84 STING1 (0.42) PAX8HPGDSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0043722-B1 BETA-D-ARABINOFURANOSYLIMIDAZO (4,5-C)PYRIDINE COMPOUNDS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1984-05-23 EP claimed
US-4315000-A β-D-Arabinofuranosylimidazo(4,5-c)pyridine compounds and methods for their production WARNER-LAMBERT COMPANY (US) 1982-02-09 US claimed
EP-0043722-A1 Beta-D-Arabinofuranosylimidazo (4,5-c)pyridine compounds and processes for their production WARNER-LAMBERT COMPANY (US) 1982-01-13 EP claimed
EP-0043722-B1 BETA-D-ARABINOFURANOSYLIMIDAZO (4,5-C)PYRIDINE COMPOUNDS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1984-05-23 EP disclosed
US-4315000-A β-D-Arabinofuranosylimidazo(4,5-c)pyridine compounds and methods for their production WARNER-LAMBERT COMPANY (US) 1982-02-09 US disclosed
EP-0043722-A1 Beta-D-Arabinofuranosylimidazo (4,5-c)pyridine compounds and processes for their production WARNER-LAMBERT COMPANY (US) 1982-01-13 EP disclosed