SCHEMBL4074331

SCHEMBL4074331

CCC(C)(CCC(=O)OC)Nc1nc(-c2ccc(C#N)cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
VCP P55072 1/20 0.47
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 3/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MRE11 P49959 1/20 0.44
RAB9A P51151 1/20 0.43
SIRT5 Q9NXA8 1/20 0.42
ATM Q13315 1/20 0.41
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
KCNQ1 P51787 1/20 0.41
CFTR P13569 1/20 0.40
PARP1 P09874 1/20 0.39

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
SCHEMBL4078495 0.89 KDM4E (0.51) KDM4EVCPKMT2AMAPTMEN1
SCHEMBL3166865 0.75 MAOA (0.54) KDM4EVCPKMT2AMAPTMEN1
SCHEMBL3175801 0.75 VCP (0.58) KDM4EVCPKMT2AMAPTMEN1
SCHEMBL27698166 0.73 VCP (0.49) KDM4EVCPKMT2AMAPTMEN1
SCHEMBL9250823 0.72 CDC25A (0.52) KDM4EVCPKMT2AMAPTMEN1
SCHEMBL3525480 0.72 KDM4E (0.53) KDM4EVCPKMT2AMAPTMEN1
SCHEMBL5381785 0.72 VCP (0.55) KDM4EVCPKMT2AMAPTMEN1
SCHEMBL4088247 0.72 KDM4E (0.53) KDM4EVCPKMT2AMAPTMEN1
SCHEMBL4088254 0.72 KDM4E (0.53) KDM4EVCPKMT2AMAPTMEN1
SCHEMBL8824039 0.71 ITGB3 (0.58) KDM4EKMT2AMAPTMEN1GAA

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
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
WO-2008021339-A2 PYRROLIDINE AND RELATED DERIVATIVES USEFUL AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed