SCHEMBL710972

SCHEMBL710972

CCCCOC[C@H](CCOC(=O)[C@@H](N)C(C)C)Cn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
HBB P68871 2/20 0.64
MAPK1 P28482 1/20 0.64
PDE3A Q14432 1/20 0.57
HPRT1 P00492 13/20 0.56
PNP P00491 4/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
EDNRA P25101 1/20 0.46
HTR2A P28223 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL710973 1.00 MEN1 (0.65) MEN1KMT2AHBBMAPK1PDE3A
SCHEMBL7229533 0.93 MEN1 (0.59) MEN1KMT2AHBBMAPK1PDE3A
SCHEMBL7228781 0.93 MEN1 (0.59) MEN1KMT2AHBBMAPK1PDE3A
SCHEMBL14595282 0.91 MEN1 (0.68) MEN1KMT2AHBBMAPK1PDE3A
SCHEMBL711557 0.90 MEN1 (0.70) MEN1KMT2AHBBMAPK1PDE3A
SCHEMBL8447226 0.90 MEN1 (0.70) MEN1KMT2AHBBMAPK1PDE3A
SCHEMBL711556 0.90 MEN1 (0.70) MEN1KMT2AHBBMAPK1PDE3A
SCHEMBL711558 0.90 MEN1 (0.70) MEN1KMT2AHBBMAPK1PDE3A
SCHEMBL712496 0.90 MEN1 (0.60) MEN1KMT2AHBBMAPK1PDE3A
SCHEMBL712497 0.90 MEN1 (0.60) MEN1KMT2AHBBMAPK1PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124609-B2 Acyclic nucleoside derivatives MEDIVIR AB (SE) 2012-02-28 US claimed