SCHEMBL10814880

SCHEMBL10814880

Nc1ncc2ncn(COC(COC(=S)OC3CCCC3)COC(=S)OC3CCCC3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ VCP P55072 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ HTT P42858 1/20 0.31

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
SCHEMBL10645986 0.77 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL10817909 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL9584417 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL9583133 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDADRA1AHSD17B10
Rociclovir SCHEMBL29573658 0.74 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDADRA1AHSD17B10
Rociclovir SCHEMBL1228859 0.74 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL10814877 0.74 KDM4E (0.32) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL10648907 0.73 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL9827211 0.73 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL10816323 0.71 HDAC6 (0.42) ALDH1A1HDAC6HSP90AA1HSP90AB1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0105135-B1 SUBSTITUTED 9-(1-0- OR 3-0-MONOSUBSTITUTED OR 1,3-DI-0-SUBSTITUTED 1,3 DIHYDROXY-2-PROPOXYMETHYL) PURINES AS ANTIVIRAL AGENTS SYNTEX (U.S.A.) INC. (US) 1987-03-18 — — EP disclosed
US-4609661-A HERPES VIRUS SYNTEX (U.S.A.) INC. (US) 1986-09-02 — — US disclosed
US-4556659-A Substituted 9-(1-0- or 3-0-monosubstituted or 1,3-Di-0-substituted propoxymethyl)-purines as antiviral agents SYNTEX (U.S.A.) INC. (US) 1985-12-03 — — US disclosed
EP-0105135-A1 Substituted 9-(1-0- or 3-0-monosubstituted or 1,3-di-0-substituted 1,3 dihydroxy-2-propoxymethyl) purines as antiviral agents SYNTEX (U.S.A.) INC. (US) 1984-04-11 — — EP disclosed
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