SCHEMBL15775209

SCHEMBL15775209

C=CCN(NC(=O)CN1c2ccccc2Sc2ccccc21)C(N)=S

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
MAPT P10636 9/20 0.46
MAPK1 P28482 3/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
XBP1 P17861 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
GFER P55789 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
SCHEMBL15775129 0.83 PPARG (0.47) PPARGMAPTMAPK1KDM4EKMT2A
SCHEMBL15775174 0.80 PPARG (0.51) PPARGMAPTMAPK1KDM4EKMT2A
SCHEMBL15775291 0.78 PPARG (0.52) PPARGMAPTMAPK1KDM4EKMT2A
SCHEMBL15775210 0.72 PPARG (0.69) PPARGMAPTMAPK1KDM4EKMT2A
SCHEMBL3240026 0.72 MAPT (0.58) PPARGMAPTMAPK1KDM4EKMT2A
SCHEMBL15775918 0.70 AR (0.46) PPARGMAPTMAPK1KDM4EKMT2A
SCHEMBL15775176 0.67 PPARG (0.70) PPARGMAPTMAPK1KDM4EKMT2A
SCHEMBL8428762 0.67 MAPT (0.63) PPARGMAPTMAPK1KDM4EKMT2A
SCHEMBL7192620 0.66 ALDH1A1 (0.34) MAPTALDH1A1
SCHEMBL5865535 0.66 KMT2A (0.45) MAPTMAPK1KDM4EKMT2AMEN1

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 claimed