SCHEMBL13844729

SCHEMBL13844729

Bc1cnn(CC(=O)OCC)c(=O)c1B

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CYP2C19 P33261 3/20 0.44
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 1/20 0.41
BRD4 O60885 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
SCHEMBL2896401 0.77 ALDH1A1 (0.66) MEN1KMT2ASMN1; SMN2GAAMAPK1
SCHEMBL2895158 0.77 ALDH1A1 (0.61) MEN1KMT2ASMN1; SMN2GAACYP2C19
SCHEMBL29451550 0.77 KMT2A (0.51) MEN1KMT2ASMN1; SMN2GAAMAPK1
SCHEMBL29451328 0.77 MEN1 (0.51) MEN1KMT2ASMN1; SMN2GAAMAPK1
SCHEMBL2888331 0.74 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2GAAMAPK1
SCHEMBL10815353 0.74 MEN1 (0.49) MEN1KMT2ASMN1; SMN2GAAMAPK1
SCHEMBL29452222 0.73 MEN1 (0.48) MEN1KMT2ASMN1; SMN2GAAMAPK1
SCHEMBL17767138 0.72 MEN1 (0.53) MEN1KMT2ASMN1; SMN2GAAMAPK1
SCHEMBL29451899 0.72 MEN1 (0.47) MEN1KMT2ASMN1; SMN2GAAMAPK1
SCHEMBL25381986 0.71 GPR139 (0.56) MEN1KMT2A

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
WO-2009057827-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-07 WO disclosed