SCHEMBL9724912

SCHEMBL9724912

CCCC(C)Nn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
XDH P47989 5/20 0.45
BLM P54132 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
VCP P55072 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
PNP P00491 3/20 0.44
TK1 P04183 2/20 0.44
HBB P68871 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
EDNRA P25101 1/20 0.44
HTR2A P28223 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL18479940 0.79 HPRT1 (0.52) MEN1KMT2AXDHBLMALDH1A1
SCHEMBL19569930 0.77 XDH (0.55) MEN1KMT2AXDHBLMPNP
SCHEMBL21137208 0.76 XDH (0.55) MEN1KMT2AXDHBLMALDH1A1
SCHEMBL21516014 0.75 HPRT1 (0.57) MEN1KMT2AXDHBLMALDH1A1
SCHEMBL7815960 0.75 HPRT1 (0.54) MEN1KMT2AXDHBLMALDH1A1
SCHEMBL7209513 0.75 MEN1 (0.49) MEN1KMT2AXDHBLMALDH1A1
SCHEMBL21137720 0.75 XDH (0.52) MEN1KMT2AXDHBLMPNP
Hydrochloric Acid SCHEMBL26629006 0.75 PNP (0.50) MEN1KMT2AXDHBLMPNP
SCHEMBL21127905 0.74 HPRT1 (0.50) MEN1KMT2AXDHBLMALDH1A1
SCHEMBL24420130 0.73 PNP (0.56) MEN1KMT2ABLMALDH1A1LMNA

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-5166330-A Phosphonation, amination and reaction with nucleosides HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-24 US claimed