SCHEMBL29490706

SCHEMBL29490706

O=C(O)c1[nH]nnc1-c1cccc(-c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 9/20 0.45
IDO1 P14902 1/20 0.43
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CNR1 P21554 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
XDH P47989 2/20 0.39
PTGS1 P23219 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL22608623 1.00 KMO (0.45) KMOIDO1MAPK13RAF1MAPK12
SCHEMBL22608235 0.93 KMO (0.48) KMOIDO1HAO1ALDH1A1MAPT
SCHEMBL23294638 0.90 KMO (0.48) KMOIDO1HAO1ALDH1A1MAPT
SCHEMBL23294435 0.86 KMO (0.47) KMOHAO1
SCHEMBL29851959 0.86 KMO (0.47) KMOHAO1
SCHEMBL31246119 0.84 KMO (0.46) KMOHAO1
SCHEMBL23303650 0.84 KMO (0.46) KMOHAO1
SCHEMBL23294301 0.84 MARS1 (0.46) IDO1CNR1HAO1HPGD
SCHEMBL29852127 0.84 MARS1 (0.46) IDO1CNR1HAO1HPGD
SCHEMBL22815844 0.84 KMO (0.53) KMOHAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3986863-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BioMarin Pharmaceutical Inc. (US) 2022-04-27 EP disclosed