SCHEMBL5336492

SCHEMBL5336492

CCOC(=O)c1c(-c2cccs2)nn(CC)c(=O)c1Nc1cnccc1C.CCn1nc(-c2cccs2)c(C(=O)OCC(=O)OCc2ccccc2)c(Nc2cccnc2)c1=O.CCn1nc(-c2cccs2)c(C(=O)OCc2ccccc2)c(Nc2cccnc2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 7/20 0.34
HPGD P15428 4/20 0.34
KDM4E B2RXH2 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HIF1A Q16665 1/20 0.34
PDE4B Q07343 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MMP13 P45452 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PKM P14618 1/20 0.32
ADORA1 P30542 1/20 0.32
PDE4A P27815 1/20 0.32

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
SCHEMBL5265041 0.93 ALDH1A1 (0.36) TP53MEN1MAPTKMT2AALDH1A1
SCHEMBL4051768 0.93 ADORA1 (0.36) TP53MEN1MAPTKMT2AALDH1A1
SCHEMBL5264015 0.93 MEN1 (0.40) TP53MEN1USP2MAPTMAPK1
SCHEMBL4055585 0.92 KMT2A (0.41) TP53MEN1USP2MAPTMAPK1
SCHEMBL4051583 0.90 ADORA1 (0.39) TP53KMT2AALDH1A1HPGDKDM4E
SCHEMBL4049128 0.88 KMT2A (0.42) TP53MEN1USP2MAPTMAPK1
SCHEMBL4053868 0.88 ALDH1A1 (0.40) TP53MEN1MAPTKMT2AALDH1A1
SCHEMBL4051352 0.87 ADORA1 (0.40) TP53MEN1USP2MAPTMAPK1
SCHEMBL4053216 0.85 NPSR1 (0.44) TP53MAPTKMT2AALDH1A1HPGD
SCHEMBL4056733 0.85 ALDH1A1 (0.43) TP53MEN1USP2MAPTMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781621-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Laboratorios Almirall, S.A. (ES) 2007-05-09 EP claimed
WO-2005123693-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 WO claimed
EP-1781621-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Laboratorios Almirall, S.A. (ES) 2007-05-09 EP disclosed
WO-2005123693-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 WO disclosed