SCHEMBL2828381

SCHEMBL2828381

CCn1nc(C(=O)O)c(Cc2ccccc2Br)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
PKM P14618 2/20 0.37
MEN1 O00255 1/20 0.37
PDE4B Q07343 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 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
SCHEMBL2828005 0.90 PDE4B (0.41) KMT2APKMMEN1PDE4BMAPT
SCHEMBL2828403 0.89 KMT2A (0.48) KMT2APKMMEN1MAPTL3MBTL1
SCHEMBL2828825 0.88 KMT2A (0.40) KMT2APKMMEN1PDE4BMAPT
SCHEMBL2828384 0.88 SMN1; SMN2 (0.38) KMT2AMEN1PDE4BMAPTALDH1A1
SCHEMBL2828338 0.87 SMN1; SMN2 (0.41) KMT2APKMMEN1PDE4BMAPT
SCHEMBL2826007 0.85 KDM4C (0.35) KMT2APKMMEN1PDE4BMAPT
SCHEMBL2828404 0.83 LMNA (0.44) KMT2APKMMEN1ALDH1A1KDM4E
SCHEMBL2829802 0.83 KMT2A (0.41) KMT2AMEN1PDE4BMAPTALDH1A1
SCHEMBL2828838 0.83 SMN1; SMN2 (0.35) KMT2AMEN1PDE4BMAPTALDH1A1
SCHEMBL2829010 0.83 HPGD (0.41) KMT2APKMMEN1PDE4BMAPT

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