SCHEMBL8448753

SCHEMBL8448753

CC(=O)Nc1nc2c(ncn2COCCN(C(=O)OCc2ccccc2)[C@H](C(=O)O)C(C)C)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TSHR P16473 2/20 0.57
HPRT1 P00492 2/20 0.43
HBB P68871 2/20 0.42
MAPK1 P28482 1/20 0.42
TK1 P04183 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
USP2 O75604 1/20 0.38
PNP P00491 1/20 0.38
EDNRA P25101 1/20 0.38
HTR2A P28223 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4901757 0.88 MEN1 (0.57) MEN1KMT2ATSHRHPRT1HBB
SCHEMBL9414136 0.81 HPRT1 (0.54) MEN1KMT2ATSHRHPRT1HBB
SCHEMBL8444902 0.81 MEN1 (0.64) MEN1KMT2ATSHRHBBMAPK1
SCHEMBL8448751 0.79 MEN1 (0.58) MEN1KMT2ATSHRHPRT1HBB
SCHEMBL6378699 0.76 MEN1 (0.58) MEN1KMT2ATSHRHPRT1TK1
SCHEMBL7778377 0.76 PDE3A (0.54) MEN1KMT2ATSHRHPRT1HBB
SCHEMBL7819447 0.74 MEN1 (1.00) MEN1KMT2ATSHRHPRT1HBB
SCHEMBL6839422 0.74 MEN1 (0.56) MEN1KMT2ATSHRHPRT1TK1
SCHEMBL8444939 0.74 MEN1 (0.80) MEN1KMT2ATSHRHPRT1HBB
SCHEMBL8448746 0.74 MEN1 (0.51) MEN1KMT2ATSHRTK1TAS1R3

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
EP-0665229-B1 Process for the production of nucleic acid base derivatives AJINOMOTO KK (JP) 1999-11-17 EP claimed