SCHEMBL9583003

SCHEMBL9583003

CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OCn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ BLM P54132 2/20 0.62
▸ PDE3A Q14432 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ VCP P55072 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ PNP P00491 6/20 0.51
▸ HBB P68871 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ EDNRA P25101 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MAPK1 P28482 1/20 0.51

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
SCHEMBL9583698 1.00 MEN1 (0.62) MEN1KMT2ABLMPDE3AALDH1A1
SCHEMBL9583399 1.00 MEN1 (0.62) MEN1KMT2ABLMPDE3AALDH1A1
SCHEMBL9584449 1.00 MEN1 (0.62) MEN1KMT2ABLMPDE3AALDH1A1
SCHEMBL9583576 1.00 MEN1 (0.62) MEN1KMT2ABLMPDE3AALDH1A1
SCHEMBL9583316 1.00 MEN1 (0.62) MEN1KMT2ABLMPDE3AALDH1A1
SCHEMBL9584195 1.00 MEN1 (0.62) MEN1KMT2ABLMPDE3AALDH1A1
SCHEMBL9584235 1.00 MEN1 (0.62) MEN1KMT2ABLMPDE3AALDH1A1
SCHEMBL9583116 1.00 MEN1 (0.62) MEN1KMT2ABLMPDE3AALDH1A1
Hydrochloric Acid SCHEMBL9583382 0.99 PDE3A (0.61) MEN1KMT2ABLMPDE3AALDH1A1
SCHEMBL9584156 0.99 MEN1 (0.63) MEN1KMT2ABLMPDE3AALDH1A1

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 12 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
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
US-4579849-A HERPES VIRUS MERCK & CO., INC. (US) 1986-04-01 — — US disclosed
EP-0165164-A1 Anti-viral compounds, their preparation and anti-viral compositions MERCK & CO. INC. (US) 1985-12-18 — — EP disclosed
EP-0161955-A1 N-alkylguanine acyclonucleosides as antiviral agents MERCK & CO. INC. (US) 1985-11-21 — — 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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