SCHEMBL4789074

SCHEMBL4789074

Cc1nn(-c2ccccn2)c(O)c1-c1ccc(C(=O)NCCCCCCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
LMNA P02545 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
GABRA5 P31644 2/20 0.39
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TET3 O43151 1/20 0.39
TET2 Q6N021 1/20 0.39
TET1 Q8NFU7 1/20 0.39
NAMPT P43490 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL3683062 0.79 MAPT (0.52) L3MBTL1KDM4E
SCHEMBL3689323 0.76 FFAR4 (0.45) L3MBTL1KDM4E
SCHEMBL4746341 0.75 ALDH1A1 (0.48) L3MBTL1NPSR1KDM4E
SCHEMBL4906850 0.73 HPGDS (0.59) KMT2AMEN1POLBHTR1AHTR2A
SCHEMBL3692788 0.73 MAPT (0.48) POLBL3MBTL1MKNK2KDM4E
SCHEMBL3682387 0.73 SLC11A2 (0.51) KMT2AMEN1L3MBTL1LMNAKDM4E
SCHEMBL4745571 0.72 SLC11A2 (0.54) L3MBTL1NPSR1KDM4E
SCHEMBL3683412 0.71 MAPT (0.45) L3MBTL1KDM4E
SCHEMBL3683176 0.71 SLC11A2 (0.53) POLBNPSR1KDM4E
SCHEMBL3685303 0.71 SLC11A2 (0.57) KMT2AMEN1POLBL3MBTL1KDM4E

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