SCHEMBL6649202

SCHEMBL6649202

Cn1cc(C(=O)OCc2ccc(Cl)cc2)cc(Cl)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.44
CYP2C19 P33261 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 2/20 0.44
MMP2 P08253 2/20 0.44
CYP3A4 P08684 2/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
CYP1A2 P05177 1/20 0.44
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5182727 0.77 TP53 (0.47) KMT2AMEN1NPSR1MAPTTDP1
SCHEMBL16759779 0.76 JMJD6 (0.43) KMT2AMEN1NPSR1MAPTTDP1
SCHEMBL23217732 0.75 CYP1A2 (0.46) KMT2AMAPTCYP2C19L3MBTL1ALDH1A1
SCHEMBL8506243 0.73 TDP1 (0.52) KMT2AMEN1NPSR1MAPTTDP1
SCHEMBL19847173 0.73 P2RX3 (0.38) KMT2AMEN1NPSR1MAPTTP53
SCHEMBL4478567 0.72 MAPK10 (0.60) KMT2AMEN1MAPTCYP2C19ALDH1A1
SCHEMBL16672341 0.72 PTGS2 (0.56) KMT2AMEN1MAPTTDP1CYP2C19
SCHEMBL5183197 0.72 TP53 (0.52) KMT2AMEN1NPSR1MAPTTDP1
SCHEMBL14404822 0.71 MAPT (0.67) KMT2AMEN1NPSR1MAPTTDP1
SCHEMBL18584696 0.71 BRD4 (0.49) MAPTALDH1A1MMP2MMP1MMP9

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-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP claimed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO claimed