SCHEMBL28513632

SCHEMBL28513632

Nc1nc2c(ncn2CC(CO)OCP(=O)=O)c(=O)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 14/20 0.70
BLM P54132 2/20 0.69
MEN1 O00255 1/20 0.69
ALDH1A1 P00352 1/20 0.69
LMNA P02545 1/20 0.69
CYP3A4 P08684 1/20 0.69
NFKB1 P19838 1/20 0.69
VCP P55072 1/20 0.69
KMT2A Q03164 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HIF1A Q16665 1/20 0.69
USP2 O75604 1/20 0.56
PNP P00491 1/20 0.56
TSHR P16473 1/20 0.56
EDNRA P25101 1/20 0.56
HTR2A P28223 1/20 0.56
RECQL P46063 1/20 0.56
HBB P68871 1/20 0.56
HSD17B10 Q99714 1/20 0.56
PDE3A Q14432 1/20 0.55

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
SCHEMBL2927244 0.87 HPRT1 (0.72) HPRT1BLMMEN1ALDH1A1LMNA
SCHEMBL28511848 0.84 HPRT1 (0.56) HPRT1BLMMEN1ALDH1A1LMNA
SCHEMBL9175736 0.84 HPRT1 (0.81) HPRT1BLMMEN1ALDH1A1LMNA
SCHEMBL84257 0.84 HPRT1 (0.81) HPRT1BLMMEN1ALDH1A1LMNA
SCHEMBL173060 0.84 HPRT1 (0.81) HPRT1BLMMEN1ALDH1A1LMNA
SCHEMBL97316 0.82 HPRT1 (0.75) HPRT1BLMMEN1ALDH1A1LMNA
SCHEMBL20997370 0.82 HPRT1 (0.70) HPRT1BLMMEN1ALDH1A1LMNA
Ganciclovir SCHEMBL2160505 0.82 BLM (1.00) HPRT1BLMMEN1ALDH1A1LMNA
Ganciclovir SCHEMBL3033 0.82 BLM (1.00) HPRT1BLMMEN1ALDH1A1LMNA
Ganciclovir SCHEMBL1242615 0.81 BLM (0.98) HPRT1BLMMEN1ALDH1A1LMNA

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-106344232-B Sustained-release drug stent for nasal cavity and forming method and application thereof 浦易(上海)生物技术股份有限公司 2022-04-01 CN disclosed
CN-212140660-U Degradable lacrimal duct tube 上海视鉴医疗器械有限公司 2020-12-15 CN disclosed