SCHEMBL15775176

SCHEMBL15775176

CNC(=S)NNC(=O)CN1c2ccccc2Sc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.70
MAPK1 P28482 3/20 0.67
KDM4E B2RXH2 1/20 0.67
MAPT P10636 9/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
LMNA P02545 3/20 0.61
GAA P10253 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HTT P42858 1/20 0.61
XBP1 P17861 1/20 0.53
GFER P55789 1/20 0.51
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CYP1A2 P05177 1/20 0.45

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
SCHEMBL15775131 0.85 PPARG (0.71) PPARGMAPK1KDM4EMAPTMEN1
SCHEMBL15775293 0.84 MAPK1 (0.82) PPARGMAPK1KDM4EMAPTMEN1
SCHEMBL15775210 0.81 PPARG (0.69) PPARGMAPK1KDM4EMAPTMEN1
SCHEMBL8428762 0.76 MAPT (0.63) PPARGMAPK1KDM4EMAPTMEN1
SCHEMBL15775919 0.75 KDM4E (0.64) PPARGMAPK1KDM4EMAPTMEN1
SCHEMBL3240026 0.75 MAPT (0.58) PPARGMAPK1KDM4EMAPTMEN1
SCHEMBL15775174 0.74 PPARG (0.51) PPARGMAPK1KDM4EMAPTMEN1
SCHEMBL8428563 0.73 BCHE (0.65) PPARGMAPK1KDM4EMAPTMEN1
SCHEMBL9423724 0.73 NOX1 (0.59) MAPTMEN1KMT2ALMNAGAA
SCHEMBL8426652 0.71 BCHE (0.67) PPARGKDM4EMAPTMEN1KMT2A

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
WO-2014086478-A1 INHIBITORS OF MALT1 PROTEASE Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2014-06-12 WO disclosed