SCHEMBL4087479

SCHEMBL4087479

CC(C)(C=O)Nc1nc(-c2ccc(C#N)cc2)cs1.CN1CC(C)(C)N(c2nc(-c3ccc(C#N)cc3)cs2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
GAA P10253 4/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 4/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
AR P10275 2/20 0.41
KDM4E B2RXH2 5/20 0.41
ATM Q13315 1/20 0.41
HTT P42858 2/20 0.39
MAOA P21397 7/20 0.39
MAOB P27338 7/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SIRT5 Q9NXA8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
VCP P55072 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
SCHEMBL3530239 0.87 KMT2A (0.56) KMT2AGAAMEN1MAPTRECQL
SCHEMBL3525480 0.82 KDM4E (0.53) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL3525856 0.73 AR (0.50) KMT2AGAAMEN1MAPTRECQL
SCHEMBL4076521 0.70 KMT2A (0.57) KMT2AGAAMEN1MAPTRECQL
SCHEMBL4078988 0.70 GAA (0.55) KMT2AGAAMEN1MAPTRECQL
SCHEMBL4088247 0.69 KDM4E (0.53) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL4088254 0.69 KDM4E (0.53) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL4086306 0.68 AR (0.55) KMT2AGAAMEN1MAPTRECQL
SCHEMBL4795202 0.67 AR (0.54) KMT2AGAAMEN1MAPTRECQL
SCHEMBL4081973 0.67 AR (0.51) KMT2AGAAMEN1MAPTRECQL

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
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed