SCHEMBL2828096

SCHEMBL2828096

CCn1nc(C(=O)O)c(COC(=O)C(C)(C)CC)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.34
PDE4B Q07343 3/20 0.34
USP2 O75604 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2828338 0.86 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AMAPTKDM4EALDH1A1
SCHEMBL2828825 0.83 KMT2A (0.40) SMN1; SMN2KMT2AMAPTKDM4EALDH1A1
SCHEMBL2824227 0.83 PDE4B (0.34) SMN1; SMN2KMT2AMAPTKDM4EALDH1A1
SCHEMBL2829156 0.82 RECQL (0.40) SMN1; SMN2KMT2AMAPTKDM4EALDH1A1
SCHEMBL2829802 0.81 KMT2A (0.41) SMN1; SMN2KMT2AMAPTKDM4EALDH1A1
SCHEMBL2825191 0.81 ALDH1A1 (0.38) SMN1; SMN2KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL2828005 0.81 PDE4B (0.41) KMT2AMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL2828358 0.81 MAPT (0.37) SMN1; SMN2KMT2AMAPTKDM4EALDH1A1
SCHEMBL2825496 0.81 MAPT (0.38) SMN1; SMN2KMT2AMAPTKDM4EALDH1A1
SCHEMBL1996168 0.80 ALDH1A1 (0.35) SMN1; SMN2KMT2AMAPTKDM4EALDH1A1

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
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP claimed