SCHEMBL5264015

SCHEMBL5264015

CCOC(=O)COC(=O)c1c(-c2cccs2)nn(CC)c(=O)c1Nc1cccnc1.CCn1nc(-c2cccs2)c(C(=O)OCC(=O)OCc2ccccc2)c(Nc2cccnc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 2/20 0.38
PDE4B Q07343 3/20 0.37
ADORA1 P30542 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 2/20 0.34
NAMPT P43490 1/20 0.34
PKM P14618 1/20 0.34
BRD4 O60885 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
SCHEMBL4055585 0.98 KMT2A (0.41) MEN1KMT2AUSP2TP53MAPT
SCHEMBL4051352 0.94 ADORA1 (0.40) MEN1KMT2AUSP2TP53MAPT
SCHEMBL5336492 0.93 TP53 (0.36) MEN1KMT2AUSP2TP53MAPT
SCHEMBL4049128 0.93 KMT2A (0.42) MEN1KMT2AUSP2TP53MAPT
SCHEMBL5265041 0.89 ALDH1A1 (0.36) MEN1KMT2ATP53MAPTALDH1A1
SCHEMBL4056733 0.89 ALDH1A1 (0.43) MEN1KMT2AUSP2TP53MAPT
SCHEMBL4051768 0.88 ADORA1 (0.36) MEN1KMT2ATP53MAPTALDH1A1
SCHEMBL4049156 0.87 PDE4B (0.49) KMT2ATP53MAPK1ALDH1A1PDE4B
SCHEMBL4058345 0.86 ADORA1 (0.38) MEN1KMT2AUSP2TP53MAPT
SCHEMBL4054452 0.85 PDE4B (0.41) MEN1KMT2AMAPK1ALDH1A1PDE4B

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 2 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 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