SCHEMBL9583138

SCHEMBL9583138

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HPRT1 P00492 7/20 0.35
▸ LMNA P02545 1/20 0.30

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
SCHEMBL9582645 0.92 HPRT1 (0.38) MEN1ALDH1A1GAAKMT2AHPRT1
SCHEMBL9584112 0.91 ALDH1A1 (0.42) MEN1ALDH1A1GAAKMT2A
SCHEMBL9583508 0.91 ALDH1A1 (0.42) MEN1ALDH1A1GAAKMT2A
SCHEMBL9582896 0.90 ALDH1A1 (0.36) MEN1ALDH1A1GAAKMT2AHPRT1
SCHEMBL9583018 0.89 ALDH1A1 (0.40) MEN1ALDH1A1GAAKMT2A
SCHEMBL10481416 0.89 ALDH1A1 (0.46) MEN1ALDH1A1GAAKMT2AHPRT1
SCHEMBL9582932 0.87 ALDH1A1 (0.39) MEN1ALDH1A1GAAKMT2AHPRT1
SCHEMBL9583028 0.87 HPRT1 (0.41) MEN1ALDH1A1GAAKMT2AHPRT1
SCHEMBL9583951 0.86 HPRT1 (0.40) MEN1ALDH1A1GAAKMT2AHPRT1
SCHEMBL9595040 0.86 HPRT1 (0.39) MEN1ALDH1A1GAAKMT2AHPRT1

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
US-5250535-A Herpes virus; nontoxic; side effect reduction; humans and veterinary medicine SYNTEX INC. (US) 1993-10-05 — — US disclosed
US-4803271-A Process for preparing guanine derivatives SYNTEX (U.S.A.) INC. (US) 1989-02-07 — — US 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-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
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