SCHEMBL28187282

SCHEMBL28187282

Nc1nc2c(ncn2C[C@H](N)C(=O)O)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.58
TK1 P04183 2/20 0.58
BLM P54132 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
NFKB1 P19838 1/20 0.58
VCP P55072 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HIF1A Q16665 1/20 0.58
HPRT1 P00492 9/20 0.57
HBB P68871 2/20 0.57
USP2 O75604 1/20 0.57
TSHR P16473 1/20 0.57
EDNRA P25101 1/20 0.57
HTR2A P28223 1/20 0.57
RECQL P46063 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL10510498 0.83 TK1 (0.60) PNPTK1BLMMEN1KMT2A
SCHEMBL20723337 0.83 PNP (0.60) PNPTK1BLMMEN1KMT2A
SCHEMBL7771689 0.82 TK1 (0.65) PNPTK1BLMMEN1KMT2A
SCHEMBL7268685 0.82 HPRT1 (0.61) PNPTK1BLMMEN1KMT2A
SCHEMBL7262066 0.82 HPRT1 (0.61) PNPTK1BLMMEN1KMT2A
Tiviciclovir SCHEMBL6944256 0.82 BLM (0.67) PNPTK1BLMMEN1KMT2A
SCHEMBL7262060 0.82 HPRT1 (0.61) PNPTK1BLMMEN1KMT2A
SCHEMBL8097057 0.81 PNP (0.60) PNPTK1BLMMEN1KMT2A
SCHEMBL5503495 0.81 PNP (0.60) PNPTK1BLMMEN1KMT2A
SCHEMBL455494 0.81 PNP (0.64) PNPTK1BLMMEN1KMT2A

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
CN-107686505-A A kind of new tripeptide compound for containing 1 willardin and its preparation method and application 河南师范大学 2018-02-13 CN disclosed
CN-107365352-A A kind of new tripeptide compound for containing 9 adenine alanine and its preparation method and application 河南师范大学 2017-11-21 CN disclosed