SCHEMBL15775293

SCHEMBL15775293

O=C(CN1c2ccccc2Sc2ccccc21)NNC(=S)Nc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.82
KDM4E B2RXH2 2/20 0.82
PPARG P37231 1/20 0.70
GAA P10253 9/20 0.65
MAPT P10636 8/20 0.65
ALDH1A1 P00352 6/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
LMNA P02545 2/20 0.65
HTT P42858 2/20 0.65
XBP1 P17861 1/20 0.60
BCHE P06276 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
NOX1 Q9Y5S8 1/20 0.49
RECQL P46063 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL15775919 0.85 KDM4E (0.64) MAPK1KDM4EPPARGGAAMAPT
SCHEMBL15775176 0.84 PPARG (0.70) MAPK1KDM4EPPARGGAAMAPT
SCHEMBL15775210 0.81 PPARG (0.69) MAPK1KDM4EPPARGGAAMAPT
SCHEMBL15775420 0.80 BCHE (0.71) MAPK1KDM4EGAAMAPTALDH1A1
SCHEMBL15775131 0.80 PPARG (0.71) MAPK1KDM4EPPARGGAAMAPT
SCHEMBL3240026 0.73 MAPT (0.58) MAPK1KDM4EPPARGGAAMAPT
SCHEMBL10655662 0.73 KMT2A (0.56) MAPK1KDM4EGAAMAPTALDH1A1
SCHEMBL12311066 0.72 MEN1 (0.69) PPARGMAPTALDH1A1MEN1KMT2A
SCHEMBL8428762 0.71 MAPT (0.63) MAPK1KDM4EPPARGGAAMAPT
SCHEMBL3808723 0.70 GAA (1.00) KDM4EGAAMAPTALDH1A1MEN1

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