SCHEMBL5677159

SCHEMBL5677159

O=C(O)Cc1cc2cccnc2[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.59
EGLN1 Q9GZT9 1/20 0.50
KDM4E B2RXH2 4/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
RIPK1 Q13546 10/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
AURKA O14965 1/20 0.41
PARP1 P09874 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL22185856 0.81 DAO (0.61) DAOKDM4ERIPK1ALDH1A1HPGD
SCHEMBL13906225 0.80 DAO (0.59) DAOKDM4ERIPK1ALDH1A1HPGD
SCHEMBL29587495 0.80 DAO (0.51) DAORIPK1HRH4HRH3
SCHEMBL833073 0.80 DAO (0.59) DAOKDM4ERIPK1ALDH1A1HPGD
SCHEMBL373592 0.77 DAO (0.64) DAOKDM4EMAPTRIPK1ALDH1A1
SCHEMBL5676880 0.77 KDM4E (0.43) KDM4ECYP1A2ALDH1A1KMT2AHPGD
SCHEMBL5676978 0.77 HRH4 (0.39) EGLN1KDM4ECYP1A2PTGDR2ALDH1A1
SCHEMBL5677293 0.75 EGLN1 (0.40) EGLN1KDM4EMAPTALDH1A1MEN1
SCHEMBL5678790 0.75 MAPK1 (0.61) DAOKDM4ECYP1A2ALDH1A1MEN1
SCHEMBL30434363 0.75 MAPK1 (0.61) DAOKDM4ECYP1A2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988045-B1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NIELSEN PETER EIGIL (DK) 2006-02-08 EP disclosed
US-6632919-B1 Bind Watson-Crick base pairs in a double helix; specific for thymidine Nielsen, Peter (DK) 2003-10-14 US disclosed
US-6617422-B1 Of given formula; stronger binding and greater specificity than oligonucleotides; useful as probes in cloning, blotting procedures, and in applications such as fluorescence in situ hybridization; can use to detect point mutations Nielsen, Peter (DK) 2003-09-09 US disclosed