SCHEMBL9107325

SCHEMBL9107325

O=C(O)c1nc2ccccc2n(CCl)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
ALDH1A1 P00352 5/20 0.60
MAPT P10636 3/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
MEN1 O00255 1/20 0.60
CYP3A4 P08684 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
CYP1A2 P05177 1/20 0.54
GLA P06280 1/20 0.54
CYP2D6 P10635 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
OGFRL1 Q5TC84 5/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL6579407 0.87 CFTR (0.63) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL5717623 0.84 ALDH1A1 (0.67) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL9103612 0.82 MAPK1 (0.62) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL8861179 0.82 ALDH1A1 (0.70) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL9106035 0.81 MAPK1 (0.57) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL2783456 0.81 MAPK1 (0.56) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL7416308 0.77 ALDH1A1 (0.60) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL2783065 0.76 ALDH1A1 (0.59) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL28330812 0.76 MAPK1 (0.54) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL29724622 0.76 ALDH1A1 (0.59) MAPK1CASP1CASP7ALDH1A1MAPT

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
EP-2174934-B1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2012-06-06 EP disclosed
CN-101778832-A Oxopyrazine derivative and weedicide KUMIAI CHEMICAL INDUSTRY CO 2010-07-14 CN disclosed