SCHEMBL5324092

SCHEMBL5324092

C#COCn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 8/20 0.69
BLM P54132 2/20 0.69
HBB P68871 2/20 0.69
USP2 O75604 1/20 0.69
TSHR P16473 1/20 0.69
EDNRA P25101 1/20 0.69
HTR2A P28223 1/20 0.69
RECQL P46063 1/20 0.69
HSD17B10 Q99714 1/20 0.69
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
CYP3A4 P08684 1/20 0.62
NFKB1 P19838 1/20 0.62
VCP P55072 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HIF1A Q16665 1/20 0.62
HPRT1 P00492 5/20 0.62
POLG P54098 1/20 0.56

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
SCHEMBL29370760 0.85 PNP (0.87) PNPBLMHBBUSP2TSHR
SCHEMBL5443285 0.83 PNP (0.74) PNPBLMHBBUSP2TSHR
SCHEMBL1767748 0.83 PNP (0.74) PNPBLMHBBUSP2TSHR
SCHEMBL2343359 0.82 PNP (0.70) PNPBLMHBBUSP2TSHR
SCHEMBL3428512 0.82 PNP (0.60) PNPBLMHBBUSP2TSHR
Acyclovir SCHEMBL30678205 0.82 PNP (0.77) PNPBLMHBBUSP2TSHR
Acyclovir SCHEMBL3175 0.82 PNP (1.00) PNPBLMHBBUSP2TSHR
Acyclovir SCHEMBL3664893 0.82 PNP (1.00) PNPBLMHBBUSP2TSHR
SCHEMBL572050 0.82 PNP (0.81) PNPBLMHBBUSP2TSHR
Acyclovir SCHEMBL2269160 0.82 PNP (1.00) PNPBLMHBBUSP2TSHR

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
WO-2007013645-A8 VALACYCLOVIR PRECURSOR, VALACYCLOVIR AND SALTS THEREOF, AND PROCESS FOR THE PRODUCTION OF THEM AJINOMOTO KK (JP) 2007-05-10 WO disclosed
WO-2007013645-A1 VALACYCLOVIR PRECURSOR, VALACYCLOVIR AND SALTS THEREOF, AND PROCESS FOR THE PRODUCTION OF THEM AJINOMOTO CO., INC. (JP) 2007-02-01 WO disclosed