SCHEMBL11119972

SCHEMBL11119972

Clc1nccc2c1ncn2[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.56
▸ PDE2A O00408 4/20 0.54
▸ BCHE P06276 1/20 0.54
▸ PTPN1 P18031 9/20 0.37
▸ CDC25B P30305 8/20 0.37
▸ PTPN2 P17706 5/20 0.37
▸ PTPN11 Q06124 4/20 0.37
▸ PTPN6 P29350 3/20 0.37
▸ CDC25A P30304 2/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ NT5E P21589 1/20 0.36

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
SCHEMBL11126005 0.88 PDE2A (0.56) HTR1APDE2ABCHECA1CA2
SCHEMBL9097705 0.82 PDE2A (0.70) HTR1APDE2ABCHENT5E
SCHEMBL11121799 0.79 PDE2A (0.59) HTR1APDE2ABCHEPTPN1CDC25B
SCHEMBL14429061 0.79 PDE2A (0.55) HTR1APDE2ABCHEPTPN1CDC25B
SCHEMBL6306348 0.78 PDE2A (0.61) HTR1APDE2ABCHEPTPN1PTPN2
SCHEMBL6306351 0.78 PDE2A (0.61) HTR1APDE2ABCHEPTPN1PTPN2
SCHEMBL11123141 0.77 HTR1A (0.59) HTR1APDE2ABCHEPTPN1CDC25B
SCHEMBL11123492 0.77 HTR1A (0.55) HTR1APDE2ABCHEPTPN1CDC25B
SCHEMBL14429059 0.77 TYMP (0.57) HTR1APDE2ABCHE
SCHEMBL11420439 0.77 PDE2A (0.61) HTR1APDE2ABCHEPTPN1CDC25B

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 3 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 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
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