SCHEMBL15775131

SCHEMBL15775131

CCCNC(=S)NNC(=O)CN1c2ccccc2Sc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.71
MAPK1 P28482 2/20 0.61
KDM4E B2RXH2 2/20 0.61
MAPT P10636 7/20 0.57
GAA P10253 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
BCHE P06276 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GFER P55789 1/20 0.50
XBP1 P17861 1/20 0.49
PDF Q9HBH1 1/20 0.44
HPGD P15428 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL8428563 0.86 BCHE (0.65) PPARGMAPK1KDM4EMAPTGAA
SCHEMBL15775176 0.85 PPARG (0.70) PPARGMAPK1KDM4EMAPTGAA
SCHEMBL15775210 0.82 PPARG (0.69) PPARGMAPK1KDM4EMAPTGAA
SCHEMBL15775293 0.80 MAPK1 (0.82) PPARGMAPK1KDM4EMAPTGAA
SCHEMBL8426652 0.78 BCHE (0.67) PPARGKDM4EMAPTGAAALDH1A1
SCHEMBL8428762 0.77 MAPT (0.63) PPARGMAPK1KDM4EMAPTGAA
SCHEMBL8430522 0.76 MAPT (0.63) MAPTGAAALDH1A1MEN1LMNA
SCHEMBL3240026 0.74 MAPT (0.58) PPARGMAPK1KDM4EMAPTGAA
SCHEMBL15775129 0.71 PPARG (0.47) PPARGMAPK1KDM4EMAPTGAA
SCHEMBL15775919 0.71 KDM4E (0.64) PPARGMAPK1KDM4EMAPTGAA

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