SCHEMBL3836263

SCHEMBL3836263

Nc1nc2c(ncn2CCCO)c(=O)[nH]1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.92
HPRT1 P00492 6/20 0.71
PNP P00491 10/20 0.70
BLM P54132 2/20 0.68
USP2 O75604 1/20 0.68
TSHR P16473 1/20 0.68
EDNRA P25101 1/20 0.68
HTR2A P28223 1/20 0.68
RECQL P46063 1/20 0.68
HBB P68871 1/20 0.68
HSD17B10 Q99714 1/20 0.68
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
CYP3A4 P08684 1/20 0.62
NFKB1 P19838 1/20 0.62
VCP P55072 1/20 0.62
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HIF1A Q16665 1/20 0.62

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
SCHEMBL571645 0.96 TK1 (1.00) TK1HPRT1PNPBLMUSP2
SCHEMBL8175624 0.95 TK1 (0.97) TK1HPRT1PNPBLMUSP2
SCHEMBL350397 0.92 TK1 (0.82) TK1HPRT1PNPBLMUSP2
SCHEMBL29286376 0.88 TK1 (0.76) TK1HPRT1PNPBLMUSP2
SCHEMBL15743134 0.87 TK1 (0.76) TK1HPRT1PNPBLMUSP2
SCHEMBL3793003 0.87 TK1 (0.76) TK1HPRT1PNP
SCHEMBL8196749 0.86 TK1 (0.78) TK1HPRT1PNPBLMUSP2
SCHEMBL20012346 0.86 TK1 (0.74) TK1HPRT1PNPBLMUSP2
SCHEMBL6272731 0.86 TK1 (0.74) TK1HPRT1PNP
SCHEMBL27506929 0.86 TK1 (0.74) TK1HPRT1PNPBLMUSP2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0143987-B1 THERAPEUTIC COMPOSITIONS ENDOWED WITH ANTIVIRAL ACTIVITY Stendardi, Anna Gioia (IT) 1989-02-22 EP claimed
WO-2023220428-A1 COMPOSITIONS FOR EDITING ASS1 TRANSCRIPTS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-11-16 WO disclosed
WO-2023220440-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-11-16 WO disclosed
WO-2022099159-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2022-05-12 WO disclosed
US-7590493-B2 Methods for determining hepatotoxins OCIMUM BIOSOLUTIONS, INC. (US) 2009-09-15 US disclosed
US-20090220970-A1 MOLECULAR TOXICOLOGY MODELING OCIMUM BIOSOLUTIONS, INC. 2009-09-03 US disclosed
US-7426441-B2 Methods for determining renal toxins OCIMUM BIOSOLUTIONS, INC. (US) 2008-09-16 US disclosed
US-7415358-B2 Molecular toxicology modeling OCIMUM BIOSOLUTIONS, INC. (US) 2008-08-19 US disclosed
EP-1476747-A4 MOLECULAR HEPATOTOXICOLOGY MODELING OCIMUM BIOSOLUTIONS INC (US) 2008-06-11 EP disclosed
US-20070124086-A1 Molecular nephrotoxicology modeling OCIMUM BIOSOLUTIONS, INC. 2007-05-31 US disclosed
EP-1392871-A4 MOLECULAR TOXICOLOGY MODELING GENE LOGIC INC (US) 2006-04-19 EP disclosed
US-20060078900-A1 Molecular toxicology modeling GENE LOGIC, INC. 2006-04-13 US disclosed
EP-1563295-A2 MOLECULAR NEPHROTOXICOLOGY MODELING Gene Logic, Inc. (US) 2005-08-17 EP disclosed
EP-1476747-A2 MOLECULAR HEPATOTOXICOLOGY MODELING Gene Logic, Inc. (US) 2004-11-17 EP disclosed
WO-2004048598-A2 MOLECULAR NEPHROTOXICOLOGY MODELING GENE LOGIC, INC. (US) 2004-06-10 WO disclosed
US-20040072160-A1 Molecular toxicology modeling OCIMUM BIOSOLUTIONS, INC. 2004-04-15 US disclosed
EP-1392871-A2 MOLECULAR TOXICOLOGY MODELING Gene Logic, Inc. (US) 2004-03-03 EP disclosed
WO-2003064624-A2 MOLECULAR HEPATOTOXICOLOGY MODELING GENE LOGIC, INC. (US) 2003-08-07 WO disclosed
WO-2002095000-A2 MOLECULAR TOXICOLOGY MODELING GENE LOGIC, INC. (US) 2002-11-28 WO disclosed
CN-1058598-A NEW LINKER FOR BIOACTIVE AGENTS ERBA CARLO SPA (IT) 1992-02-12 CN disclosed