SCHEMBL2828384

SCHEMBL2828384

CCn1nc(C(=O)O)c(Cc2ccc(Br)cc2)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
PDE4B Q07343 5/20 0.38
HDAC6 Q9UBN7 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA1 P30542 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
ROS1 P08922 1/20 0.34
RPS6KB1 P23443 1/20 0.34
HTT P42858 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
SCHEMBL2828825 0.94 KMT2A (0.40) SMN1; SMN2PDE4BKMT2AALDH1A1MEN1
SCHEMBL2828404 0.90 LMNA (0.44) SMN1; SMN2TRPV1KMT2AALDH1A1MEN1
SCHEMBL2828381 0.88 KMT2A (0.37) SMN1; SMN2PDE4BHDAC6KMT2AALDH1A1
SCHEMBL2828338 0.87 SMN1; SMN2 (0.41) SMN1; SMN2PDE4BKMT2AALDH1A1MEN1
SCHEMBL2828838 0.86 SMN1; SMN2 (0.35) SMN1; SMN2PDE4BKMT2AALDH1A1MEN1
SCHEMBL2829010 0.86 HPGD (0.41) SMN1; SMN2PDE4BKMT2AALDH1A1MEN1
SCHEMBL2829418 0.85 MAPT (0.40) PDE4BKMT2AALDH1A1MEN1MAPT
SCHEMBL2825898 0.85 ALDH1A1 (0.51) SMN1; SMN2KMT2AALDH1A1KDM4EPOLB
SCHEMBL1997935 0.84 SMN1; SMN2 (0.35) SMN1; SMN2PDE4BTRPV1KMT2AALDH1A1
SCHEMBL2828005 0.84 PDE4B (0.41) PDE4BKMT2AALDH1A1MEN1MAPT

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