SCHEMBL10506166

SCHEMBL10506166

Nc1nc2c(c(=O)[nH]1)NCN2CC=CCO

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 8/20 0.53
NOS1 P29475 5/20 0.34
TK1 P04183 1/20 0.33
PNP P00491 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
USP2 O75604 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CASP7 P55210 1/20 0.31
PAH P00439 1/20 0.31
TSHR P16473 1/20 0.31
EDNRA P25101 1/20 0.31
HTR2A P28223 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
HBB P68871 1/20 0.31

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
SCHEMBL9278710 0.83 HPRT1 (0.54) HPRT1NOS1PNPNOS3NOS2
SCHEMBL23892758 0.83 HPRT1 (0.54) HPRT1NOS1PNPNOS3NOS2
SCHEMBL9739844 0.83 HPRT1 (0.60) HPRT1NOS1PNPNOS3NOS2
SCHEMBL1732936 0.83 HPRT1 (0.63) HPRT1PNP
SCHEMBL10510121 0.83 HPRT1 (0.52) HPRT1NOS1TK1PNPNOS3
SCHEMBL8762573 0.81 HPRT1 (0.70) HPRT1PNP
SCHEMBL3743947 0.80 HPRT1 (0.56) HPRT1NOS1NOS3NOS2USP2
SCHEMBL9124829 0.80 HPRT1 (0.46) HPRT1NOS1PNPNOS3NOS2
SCHEMBL21637016 0.79 HPRT1 (0.57) HPRT1NOS1PNPNOS3NOS2
SCHEMBL3836268 0.78 HPRT1 (0.61) HPRT1NOS1TK1PNPNOS3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0165289-B1 NOVEL DERIVATIVES OF GUANINE Medivir Aktiebolag (SE) 1989-04-05 EP claimed
EP-0165289-A1 NOVEL DERIVATIVES OF GUANINE. ASTRA LAEKEMEDEL AB (SE) 1985-12-27 EP claimed
WO-1985002845-A1 NOVEL DERIVATIVES OF GUANINE Astra Läkemedel Aktiebolag (SE) 1985-07-04 WO claimed
EP-0146516-A2 Derivatives of Guanine, process for their preparation and a pharmaceutical preparation Astra Läkemedel Aktiebolag (SE) 1985-06-26 EP claimed
EP-0165289-B1 NOVEL DERIVATIVES OF GUANINE Medivir Aktiebolag (SE) 1989-04-05 EP disclosed
US-4798833-A VIRICIDES ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1989-01-17 US disclosed
EP-0165289-A1 NOVEL DERIVATIVES OF GUANINE. ASTRA LAEKEMEDEL AB (SE) 1985-12-27 EP disclosed
WO-1985002845-A1 NOVEL DERIVATIVES OF GUANINE Astra Läkemedel Aktiebolag (SE) 1985-07-04 WO disclosed
EP-0146516-A2 Derivatives of Guanine, process for their preparation and a pharmaceutical preparation Astra Läkemedel Aktiebolag (SE) 1985-06-26 EP disclosed