SCHEMBL10814846

SCHEMBL10814846

CCCCOC(=O)OCC(COC(=O)OCCCC)OCn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ BLM P54132 2/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ NFKB1 P19838 1/20 0.63
▸ VCP P55072 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ HIF1A Q16665 1/20 0.63
▸ PDE3A Q14432 1/20 0.63
▸ PNP P00491 6/20 0.54
▸ HBB P68871 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ EDNRA P25101 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ MAPK1 P28482 1/20 0.54

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
SCHEMBL10811445 0.96 PDE3A (0.61) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL10816332 0.95 PDE3A (0.70) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL10811709 0.92 PDE3A (0.68) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL10813813 0.88 MEN1 (0.71) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL9463793 0.88 BLM (0.67) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL9583707 0.88 MEN1 (0.64) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL9584156 0.87 MEN1 (0.63) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL9583316 0.86 MEN1 (0.62) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL9584235 0.86 MEN1 (0.62) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL9583698 0.86 MEN1 (0.62) MEN1KMT2ABLMALDH1A1LMNA

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 3 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 claimed
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 claimed
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 claimed
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