SCHEMBL3244089

SCHEMBL3244089

COC(=O)c1cc(Cl)c(C(=O)OC)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
NQO2 P16083 5/20 0.46
ALDH1A1 P00352 2/20 0.46
LCK P06239 1/20 0.45
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43

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
SCHEMBL19835436 0.85 MAPK1 (0.50) MAPK1NQO2ALDH1A1LCKGABRP
SCHEMBL474122 0.84 KDM4E (0.44) MAPK1NQO2ALDH1A1MAPTKDM4E
SCHEMBL29551416 0.84 KDM4E (0.44) MAPK1NQO2ALDH1A1MAPTKDM4E
SCHEMBL10467645 0.83 MAPK1 (0.52) MAPK1NQO2ALDH1A1LCKGABRP
SCHEMBL29425147 0.82 GAA (0.42) NQO2ALDH1A1MAPTKDM4EHPGD
SCHEMBL30031450 0.82 MAPK1 (0.47) MAPK1NQO2ALDH1A1LCKGABRP
SCHEMBL21873493 0.82 LCK (0.53) MAPK1NQO2ALDH1A1LCKGABRP
SCHEMBL3936135 0.82 MAPK1 (0.47) MAPK1NQO2ALDH1A1LCKGABRP
SCHEMBL8495483 0.82 GAA (0.42) NQO2ALDH1A1MAPTKDM4ELMNA
SCHEMBL2217864 0.82 GAA (0.42) NQO2ALDH1A1MAPTKDM4EHPGD

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
WO-2010059552-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
WO-2010059552-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed