Omaciclovir

Omaciclovir

SCHEMBL9430446

CCC(=O)O.CCC(=O)O.Nc1nc2c(ncn2CC(CO)CCO)c(=O)[nH]1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 2/20 0.55
▸ BLM P54132 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ VCP P55072 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ HPRT1 P00492 9/20 0.54
▸ PNP P00491 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
▸ HBB P68871 1/20 0.54
▸ HSD17B10 Q99714 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
Omaciclovir SCHEMBL417577 0.92 TK1 (0.62) TK1BLMMEN1KMT2AALDH1A1
Omaciclovir SCHEMBL712427 0.92 TK1 (0.62) TK1BLMMEN1KMT2AALDH1A1
Omaciclovir SCHEMBL10507800 0.91 TK1 (0.61) TK1BLMMEN1KMT2AALDH1A1
Omaciclovir SCHEMBL571367 0.88 HPRT1 (0.66) TK1BLMMEN1KMT2AALDH1A1
SCHEMBL16488939 0.88 TK1 (0.60) TK1BLMMEN1KMT2AALDH1A1
SCHEMBL10506595 0.88 TK1 (0.65) TK1BLMMEN1KMT2AALDH1A1
Tiviciclovir SCHEMBL6944256 0.85 BLM (0.67) TK1BLMMEN1KMT2AALDH1A1
Tiviciclovir SCHEMBL7745021 0.84 BLM (0.66) TK1BLMMEN1KMT2AALDH1A1
SCHEMBL10507335 0.84 TK1 (0.67) TK1BLMMEN1KMT2AALDH1A1
SCHEMBL16491196 0.83 BLM (0.61) TK1BLMMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5284837-A Viricides MEDIVIR AB (SE) 1994-02-08 — — US disclosed
EP-0343133-B1 DERIVATIVES OF PURINE, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION Medivir Aktiebolag (SE) 1992-04-08 — — EP disclosed
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