SCHEMBL3157338

SCHEMBL3157338

CC(C(=O)Nc1nc2c(s1)CCCC2OC(=O)NCCN(C)C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.38
XIAP P98170 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAD52 P43351 1/20 0.38
GLS O94925 3/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 3/20 0.35
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CCNA1 P78396 3/20 0.35
KIF11 P52732 1/20 0.34

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
SCHEMBL4803743 0.85 XIAP (0.46) GPR88XIAPMEN1KMT2ARAD52
SCHEMBL3172004 0.85 XIAP (0.43) XIAPMEN1KMT2AGLSPOLB
SCHEMBL5767301 0.82 MEN1 (0.41) XIAPMEN1KMT2AGLSPOLB
SCHEMBL3157695 0.76 XIAP (0.49) XIAPMEN1KMT2AGLSPOLB
SCHEMBL3157435 0.75 CNR1 (0.35) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL4801228 0.74 XIAP (0.45) XIAPMEN1KMT2AGLSPOLB
Formic Acid SCHEMBL4804385 0.73 XIAP (0.47) XIAPMEN1KMT2AGLSPOLB
SCHEMBL4804382 0.73 XIAP (0.45) XIAPMEN1KMT2AGLSPOLB
SCHEMBL6208826 0.72 TSHR (0.34) XIAPMEN1KMT2ALMNA
SCHEMBL6211289 0.71 MAPT (0.38) POLBALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP claimed
JP-2007522171-A 2007-08-09 JP claimed
EP-1716128-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-11-02 EP claimed
WO-2005077924-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2005-08-25 WO claimed
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP disclosed
EP-1716128-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-11-02 EP disclosed
WO-2005077924-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2005-08-25 WO disclosed