SCHEMBL10817685

SCHEMBL10817685

CCCCOC(=S)OCC(COC(=S)OCCCC)OCn1cnc2c(NC)nc(N)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ VCP P55072 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HDAC1 Q13547 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ P2RY1 P47900 3/20 0.36
▸ CDK1 P06493 2/20 0.35
▸ CCNB1 P14635 2/20 0.35
▸ CCNE1 P24864 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ ADORA2A P29274 1/20 0.35

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
SCHEMBL10818024 0.86 PDE3A (0.35) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583957 0.83 ABCB1 (0.41) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL10812775 0.83 HSP90AB1 (0.41) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583249 0.83 PDE3A (0.42) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL10818089 0.81 PDE3A (0.41) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583122 0.80 PDE3A (0.47) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9582915 0.79 MEN1 (0.56) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL10817682 0.79 HDAC1 (0.38) HDAC1ADORA3ADORA1CDK1CCNB1
SCHEMBL10818033 0.77 PDE3A (0.37) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL10817977 0.74 PDE3A (0.43) PDE3AMEN1ALDH1A1LMNACYP3A4

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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