SCHEMBL7822761

SCHEMBL7822761

O=C(O)C/C(O)=C1\C(=O)Nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.54
▸ TDO2 P48775 1/20 0.54
▸ LRRK2 Q5S007 3/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ FER P16591 1/20 0.47
▸ LTK P29376 1/20 0.47
▸ CDK8 P49336 1/20 0.47
▸ ACVR1 Q04771 1/20 0.47
▸ DYRK1B Q9Y463 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 2/20 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
SCHEMBL31654001 1.00 IDO1 (0.54) IDO1TDO2LRRK2MAOAMAOB
SCHEMBL7822762 1.00 IDO1 (0.54) IDO1TDO2LRRK2MAOAMAOB
Glycolic Acid SCHEMBL6888173 0.75 LRRK2 (0.64) IDO1TDO2LRRK2MAOAMAOB
SCHEMBL17169398 0.74 IDO1 (0.51) IDO1TDO2LRRK2MAOAMAOB
SCHEMBL7006381 0.74 TDP1 (0.69) IDO1TDO2LRRK2MAOAMAOB
SCHEMBL5619605 0.73 IDO1 (0.50) IDO1TDO2LRRK2MAOAMAOB
SCHEMBL5619602 0.73 IDO1 (0.50) IDO1TDO2LRRK2MAOAMAOB
SCHEMBL14515139 0.73 IDO1 (0.50) IDO1TDO2LRRK2MAOAMAOB
SCHEMBL30681308 0.73 IDO1 (0.57) IDO1TDO2LRRK2MAOAMAOB
SCHEMBL7304930 0.73 IDO1 (0.57) IDO1TDO2LRRK2MAOAMAOB

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
Send feedback