SCHEMBL456753

SCHEMBL456753

O=C(O)c1c(Cc2ccccc2)nc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 2/20 0.51
ERCC1 P07992 2/20 0.51
FEN1 P39748 2/20 0.51
ERCC4 Q92889 2/20 0.51
ADORA3 P0DMS8 1/20 0.46
TNKS O95271 2/20 0.45
PARP1 P09874 2/20 0.45
TNKS2 Q9H2K2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
PIN1 Q13526 5/20 0.44
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL11396560 0.77 LTB4R (0.44) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL12487639 0.76 SMN1; SMN2 (0.47) RNASEH1ERCC1FEN1ERCC4TNKS
SCHEMBL10727938 0.75 LTB4R (0.61) TNKSPARP1TNKS2SMN1; SMN2ALDH1A1
SCHEMBL468691 0.74 LTB4R (0.47) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL24087904 0.72 ACMSD (0.56) SMN1; SMN2ALDH1A1HPGDKDM4EHTT
SCHEMBL8764478 0.72 PIN1 (0.50) SMN1; SMN2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4879388 0.72 LTB4R (0.45) SMN1; SMN2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4879384 0.70 LTB4R (0.40) ADORA3SMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL22372656 0.69 POLB (0.62) RNASEH1ERCC1FEN1ERCC4TNKS
SCHEMBL10338070 0.69 ERCC1 (0.55) RNASEH1ERCC1FEN1ERCC4TNKS

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-2475654-A1 HERBICIDAL PYRIMIDONE DERIVATIVES E. I. du Pont de Nemours and Company (US) 2012-07-18 EP disclosed
WO-2012033548-A2 HERBICIDAL BIS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 WO disclosed
WO-2011031658-A1 HERBICIDAL PYRIMIDONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-17 WO disclosed