SCHEMBL7565686

SCHEMBL7565686

C[C@@](N)(C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21)c1c[nH]cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
HBB P68871 2/20 0.60
MAPK1 P28482 1/20 0.60
PNP P00491 7/20 0.58
TSHR P16473 2/20 0.58
BLM P54132 2/20 0.58
USP2 O75604 1/20 0.58
EDNRA P25101 1/20 0.58
HTR2A P28223 1/20 0.58
RECQL P46063 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HPRT1 P00492 3/20 0.54
POLG P54098 1/20 0.52
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
VCP P55072 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL11244147 0.85 MEN1 (0.71) MEN1KMT2AHBBMAPK1PNP
SCHEMBL7814355 0.80 MEN1 (0.76) MEN1KMT2AHBBMAPK1PNP
SCHEMBL5449255 0.79 MEN1 (0.69) MEN1KMT2AHBBMAPK1PNP
SCHEMBL29370760 0.78 PNP (0.87) MEN1KMT2AHBBMAPK1PNP
SCHEMBL8445568 0.78 MEN1 (0.73) MEN1KMT2AHBBMAPK1PNP
SCHEMBL14501172 0.77 PNP (0.73) MEN1KMT2AHBBMAPK1PNP
SCHEMBL14501075 0.77 PNP (0.73) MEN1KMT2AHBBMAPK1PNP
SCHEMBL14501173 0.76 MEN1 (0.65) MEN1KMT2AHBBMAPK1PNP
Acyclovir SCHEMBL29531632 0.76 PNP (0.97) MEN1KMT2AHBBMAPK1PNP
SCHEMBL12088904 0.76 PNP (0.71) MEN1KMT2AHBBMAPK1PNP

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
EP-1192129-A2 PHARMACEUTICAL COMPOUNDS NICOX S.A. (FR) 2002-04-03 EP disclosed
WO-2000061549-A2 PHARMACEUTICAL COMPOUNDS NICOX S.A. (FR) 2000-10-19 WO disclosed