SCHEMBL8321598

SCHEMBL8321598

O[C@@H]1[C@H](O)[C@@H](CS)O[C@H]1n1cc(I)c2c(Nc3ccccc3)ncnc21

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 18/20 0.84
▸ LMNA P02545 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ NPY1R P25929 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ NPY2R P49146 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SLC29A1 Q99808 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56

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
SCHEMBL8332497 0.91 ADK (1.00) ADKLMNAALDH1A1GLAPMP22
SCHEMBL8975040 0.91 ADK (1.00) ADKLMNAALDH1A1GLAPMP22
SCHEMBL8326827 0.87 ADK (0.85) ADK
SCHEMBL8975073 0.85 ADK (1.00) ADK
SCHEMBL8323713 0.80 ADK (0.83) ADKALDH1A1NPC1HTTRAB9A
SCHEMBL8332893 0.79 ADK (1.00) ADKLMNAALDH1A1GLAPMP22
SCHEMBL8326917 0.78 ADK (1.00) ADK
SCHEMBL8975714 0.78 ADK (0.85) ADK
SCHEMBL8975204 0.78 ADK (1.00) ADK
SCHEMBL8975521 0.78 ADK (0.85) ADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496617-B1 Adenosine kinase inhibitors METABASIS THERAPEUTICS INC (US) 1999-12-01 — — EP disclosed
EP-0682519-A4 ADENOSINE KINASE INHIBITORS. GENSIA INC (US) 1997-12-17 — — EP disclosed
US-5646128-A TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS GENSIA, INC. (US) 1997-07-08 — — US disclosed
EP-0682519-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1995-11-22 — — EP disclosed
WO-1994017803-A9 ADENOSINE KINASE INHIBITORS — 1994-09-29 — — WO disclosed
WO-1994017803-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1994-08-18 — — WO disclosed
WO-1992012718-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1992-08-06 — — WO disclosed
EP-0496617-A1 Adenosine kinase inhibitors GENSIA, INC. (US) 1992-07-29 — — EP disclosed
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