SCHEMBL9309972

SCHEMBL9309972

Nc1nc2c(ncn2C2CCC(CO)C2CO)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 3/20 0.53
▸ ADORA3 P0DMS8 1/20 0.52
▸ HPRT1 P00492 5/20 0.52
▸ TK1 P04183 2/20 0.48
▸ BLM P54132 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ EDNRA P25101 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ HBB P68871 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MEN1 O00255 1/20 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
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9309777 1.00 PNP (0.53) PNPADORA3HPRT1TK1BLM
SCHEMBL9309760 1.00 PNP (0.53) PNPADORA3HPRT1TK1BLM
SCHEMBL9471442 0.92 ADORA3 (0.54) PNPADORA3HPRT1TK1BLM
Lobucavir SCHEMBL2506573 0.90 HPRT1 (0.53) PNPADORA3HPRT1TK1BLM
Lobucavir SCHEMBL51919 0.90 HPRT1 (0.53) PNPADORA3HPRT1TK1BLM
Lobucavir SCHEMBL598707 0.90 HPRT1 (0.53) PNPADORA3HPRT1TK1BLM
Lobucavir SCHEMBL7166488 0.90 HPRT1 (0.53) PNPADORA3HPRT1TK1BLM
Lobucavir SCHEMBL6742530 0.90 HPRT1 (0.53) PNPADORA3HPRT1TK1BLM
Lobucavir SCHEMBL5990162 0.90 HPRT1 (0.53) PNPADORA3HPRT1TK1BLM
Lobucavir SCHEMBL10460499 0.90 HPRT1 (0.53) PNPADORA3HPRT1TK1BLM

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
US-5374625-A Bis/hydroxymethyl/cycloalkyl derivatives; viricides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-12-20 — — US disclosed
EP-0468352-A2 Novel nucleic acid derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-01-29 — — EP disclosed
Send feedback