SCHEMBL15775129

SCHEMBL15775129

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
BCHE P06276 5/20 0.47
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 8/20 0.45
POLB P06746 2/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
GFER P55789 2/20 0.41
ATM Q13315 1/20 0.40
XBP1 P17861 1/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL15775174 0.83 PPARG (0.51) PPARGBCHEMAPK1KDM4EMAPT
SCHEMBL15775209 0.83 PPARG (0.47) PPARGBCHEMAPK1KDM4EMAPT
SCHEMBL15775291 0.79 PPARG (0.52) PPARGBCHEMAPK1KDM4EMAPT
SCHEMBL8428563 0.73 BCHE (0.65) PPARGBCHEMAPK1KDM4EMAPT
SCHEMBL8428963 0.73 BCHE (0.65) BCHEKDM4EMAPTPOLBGAA
SCHEMBL8428762 0.73 MAPT (0.63) PPARGBCHEMAPK1KDM4EMAPT
SCHEMBL3240026 0.72 MAPT (0.58) PPARGBCHEMAPK1KDM4EMAPT
SCHEMBL15775131 0.71 PPARG (0.71) PPARGBCHEMAPK1KDM4EMAPT
SCHEMBL8426652 0.71 BCHE (0.67) PPARGBCHEKDM4EMAPTGAA
SCHEMBL15775918 0.70 AR (0.46) 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 2 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