SCHEMBL5316628

SCHEMBL5316628

CCOC(=O)CCCn1nc(-c2cccs2)c(C(=O)O)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
TNF P01375 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
TOP2A P11388 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 5/20 0.36
FEN1 P39748 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ELANE P08246 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
SCHEMBL4057540 0.86 ADORA1 (0.45) HSD17B10ALDH1A1MAPTLMNAFEN1
SCHEMBL4052552 0.85 ADORA1 (0.37) HSD17B10TNFALDH1A1MAPTTOP2A
SCHEMBL4048802 0.85 ADORA1 (0.37) HSD17B10TNFALDH1A1MAPTTOP2A
SCHEMBL4053146 0.84 ADORA1 (0.43) HSD17B10ALDH1A1MAPTLMNAGAA
SCHEMBL4051228 0.83 ADORA1 (0.40) HSD17B10ALDH1A1MAPTLMNAGAA
SCHEMBL4052382 0.79 ADORA1 (0.40) HSD17B10ALDH1A1MAPTGAAMEN1
SCHEMBL4370564 0.79 ADORA1 (0.36) HSD17B10ALDH1A1MAPTLMNAGAA
SCHEMBL4059427 0.79 ADORA1 (0.41) HSD17B10ALDH1A1MAPTLMNAMEN1
SCHEMBL4051184 0.78 HTT (0.39) HSD17B10ALDH1A1MAPTLMNAGAA
SCHEMBL4057121 0.78 ADORA1 (0.40) HSD17B10ALDH1A1MAPTLMNAGAA

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