SCHEMBL10816124

SCHEMBL10816124

C=CNC(=O)OCC(COC(=O)NC=C)OCn1cnc2c(SC)nc(N(C)C)nc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 1/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ VCP P55072 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HK1 P19367 1/20 0.33
▸ HKDC1 Q2TB90 1/20 0.33

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
SCHEMBL9584672 0.80 ALDH1A1 (0.38) PDE3AALDH1A1LMNASMN1; SMN2
SCHEMBL9583894 0.80 BLM (0.48) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL10815175 0.79 PDE3A (0.35) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL10816122 0.76 — —
SCHEMBL10813165 0.75 PDE3A (0.41) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9594486 0.71 PDE3A (0.48) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583847 0.70 KMT2A (0.34) PDE3AKMT2ASMN1; SMN2HK1HKDC1
SCHEMBL9583631 0.69 CYP1A2 (0.48) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583505 0.69 CCNE2 (0.34) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9584601 0.67 CYP2C19 (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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