SCHEMBL2858495

SCHEMBL2858495

CCCC(CCC)C(=O)OCCOCn1c(C(=O)C(CCC)CCC)nc2c(=O)[nH]c(N)nc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNP P00491 10/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HBB P68871 2/20 0.46
MAPK1 P28482 1/20 0.46
POLG P54098 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
EDNRA P25101 1/20 0.39
HTR2A P28223 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPRT1 P00492 6/20 0.37
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1177653 0.79 MEN1 (0.74) PNPMEN1KMT2AHBBMAPK1
SCHEMBL2434143 0.78 PNP (0.57) PNPMEN1KMT2AHBBMAPK1
SCHEMBL2861664 0.78 PNP (0.52) PNPMEN1KMT2AHBBMAPK1
SCHEMBL9566544 0.74 PNP (0.71) PNPMEN1KMT2AHBBMAPK1
SCHEMBL8781905 0.70 PNP (0.55) PNPMEN1KMT2AHBBMAPK1
SCHEMBL456162 0.69 MAPK1 (0.44) PNPMEN1KMT2AHBBMAPK1
SCHEMBL11008541 0.67 PNP (0.46) PNPMEN1KMT2AHBBMAPK1
SCHEMBL31043036 0.67 PNP (0.78) PNPMEN1KMT2AHBBUSP2
SCHEMBL1177556 0.67 MEN1 (0.66) PNPMEN1KMT2AHBBMAPK1
SCHEMBL453174 0.66 PNP (0.49) PNPMEN1KMT2AHBBMAPK1

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-2142548-B1 ACYLATED DERIVATIVE OF THE PURINIC ANTIVIRAL AGENT ACICLOVIR AND USE THEREOF AS A POTENT ANTICANCER AGENT UNIV RAMOT (IL) 2016-05-25 EP disclosed
EP-2142548-A1 NOVEL DERIVATIVES OF PURINIC AND PYRIMIDINIC ANTIVIRAL AGENTS AND USE THEREOF AS POTENT ANTICANCER AGENTS Ramot at Tel-Aviv University Ltd. (IL) 2010-01-13 EP disclosed
WO-2008120205-A1 NOVEL DERIVATIVES OF PURINIC AND PYRIMIDINIC ANTIVIRAL AGENTS AND USE THEREOF AS POTENT ANTICANCER AGENTS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2008-10-09 WO disclosed