SCHEMBL2829418

SCHEMBL2829418

CCn1nc(C(=O)O)c(Cc2cccc(Cl)c2)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE4B Q07343 9/20 0.39
ADORA1 P30542 3/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
PTGER4 P35408 1/20 0.38
MEN1 O00255 2/20 0.38
CYP2D6 P10635 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
PLA2G2A P14555 1/20 0.37
FAAH O00519 1/20 0.37

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 0.91 KMT2A (0.40) MAPTALDH1A1KDM4EL3MBTL1PDE4B
SCHEMBL2829010 0.91 HPGD (0.41) MAPTALDH1A1KDM4EL3MBTL1PDE4B
SCHEMBL2825898 0.89 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2ANPC1PTGER4
SCHEMBL2829411 0.88 TRPV1 (0.43) MAPTALDH1A1KDM4EKMT2ANPC1
SCHEMBL2825256 0.88 ALDH1A1 (0.38) MAPTALDH1A1KDM4EL3MBTL1PDE4B
SCHEMBL2828005 0.85 PDE4B (0.41) MAPTALDH1A1KDM4EL3MBTL1PDE4B
SCHEMBL2828384 0.85 SMN1; SMN2 (0.38) MAPTALDH1A1KDM4EL3MBTL1PDE4B
SCHEMBL2828338 0.85 SMN1; SMN2 (0.41) MAPTALDH1A1KDM4EL3MBTL1PDE4B
SCHEMBL2828404 0.85 LMNA (0.44) ALDH1A1KDM4EKMT2ANPC1PTGER4
SCHEMBL2828838 0.84 SMN1; SMN2 (0.35) MAPTALDH1A1KDM4EL3MBTL1PDE4B

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