SCHEMBL8447474

SCHEMBL8447474

CCC(=O)OCCCOC(OC(=O)CC)N1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 8/20 0.40
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.33
▸ NOS1 P29475 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
SCHEMBL9583272 0.89 HPRT1 (0.42) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL10481415 0.89 HPRT1 (0.39) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL10481416 0.88 ALDH1A1 (0.46) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL9583028 0.88 HPRT1 (0.41) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL9583951 0.87 HPRT1 (0.40) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL9595040 0.87 HPRT1 (0.39) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL9583714 0.86 HPRT1 (0.41) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL9583138 0.86 MEN1 (0.38) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL10816902 0.86 HPRT1 (0.39) HPRT1KMT2AMEN1ALDH1A1GAA
SCHEMBL10813801 0.85 HPRT1 (0.40) HPRT1KMT2AMEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250535-A Herpes virus; nontoxic; side effect reduction; humans and veterinary medicine SYNTEX INC. (US) 1993-10-05 — — US claimed
EP-0085424-A2 Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl)purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1983-08-10 — — EP claimed
EP-0704445-B1 Preparation of N-9 substituted guanine compounds HOFFMANN LA ROCHE (CH) 1999-04-21 — — EP disclosed
US-5565565-A Preparation of N-9 substituted guanine compounds SYNTEX (U.S.A.) INC. (US) 1996-10-15 — — US disclosed
EP-0704445-A1 Preparation of N-9 substituted guanine compounds F. Hoffmann-La Roche AG (CH) 1996-04-03 — — EP disclosed
US-5250535-A Herpes virus; nontoxic; side effect reduction; humans and veterinary medicine SYNTEX INC. (US) 1993-10-05 — — US disclosed
US-4816447-A HERPES VIRUS MERCK & CO., INC. (US) 1989-03-28 — — US disclosed
US-4803271-A Process for preparing guanine derivatives SYNTEX (U.S.A.) INC. (US) 1989-02-07 — — US disclosed
EP-0074306-B1 ANTI-VIRAL GUANINE DERIVATIVES MERCK & CO. INC. (US) 1988-06-01 — — EP disclosed
US-4612314-A Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl) purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1986-09-16 — — US disclosed
EP-0165164-A1 Anti-viral compounds, their preparation and anti-viral compositions MERCK & CO. INC. (US) 1985-12-18 — — EP disclosed
EP-0085424-A2 Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl)purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1983-08-10 — — EP disclosed
EP-0074306-A2 Anti-viral guanine derivatives MERCK & CO. INC. (US) 1983-03-16 — — EP disclosed
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