SCHEMBL4746215

SCHEMBL4746215

CCN(CC)c1ccc(C=C2C(=O)N(CCO)N=C2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.57
KMT2A Q03164 12/20 0.57
MAPT P10636 8/20 0.57
L3MBTL1 Q9Y468 5/20 0.57
KDM4E B2RXH2 4/20 0.57
NPSR1 Q6W5P4 3/20 0.57
PSMD14 O00487 1/20 0.57
MMP2 P08253 1/20 0.57
SLC11A2 P49281 1/20 0.57
MMP14 P50281 1/20 0.57
ALDH1A1 P00352 13/20 0.57
GAA P10253 4/20 0.57
TDP1 Q9NUW8 2/20 0.52
ALPL P05186 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
MAPK1 P28482 3/20 0.45
LMNA P02545 3/20 0.45
NTSR1 P30989 1/20 0.45
HPGD P15428 4/20 0.43

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
SCHEMBL14041334 1.00 MEN1 (0.57) MEN1KMT2AMAPTL3MBTL1KDM4E
SCHEMBL6654033 0.90 ALDH1A1 (0.57) MEN1KMT2AMAPTL3MBTL1KDM4E
SCHEMBL6654011 0.90 ALDH1A1 (0.57) MEN1KMT2AMAPTL3MBTL1KDM4E
SCHEMBL12589925 0.84 ALDH1A1 (0.54) MEN1KMT2AMAPTL3MBTL1KDM4E
SCHEMBL12924732 0.83 MEN1 (0.60) MEN1KMT2AMAPTL3MBTL1KDM4E
SCHEMBL6654152 0.83 ALDH1A1 (0.53) MEN1KMT2AMAPTL3MBTL1KDM4E
SCHEMBL6657987 0.83 ALDH1A1 (0.53) MEN1KMT2AMAPTL3MBTL1KDM4E
SCHEMBL12924692 0.77 MEN1 (0.55) MEN1KMT2AMAPTL3MBTL1KDM4E
SCHEMBL12924705 0.76 KMT2A (0.67) MEN1KMT2AMAPTL3MBTL1KDM4E
SCHEMBL14198801 0.76 KMT2A (0.67) MEN1KMT2AMAPTL3MBTL1KDM4E

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-2008121861-A2 PYRAZOLE AND PYRROLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-10-09 WO disclosed