SCHEMBL4749196

SCHEMBL4749196

CCN(CC)c1ccc(C=C2C(=O)NN=C2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 0.59
KMT2A Q03164 14/20 0.59
ALDH1A1 P00352 13/20 0.59
MAPT P10636 10/20 0.59
NPSR1 Q6W5P4 4/20 0.58
LMNA P02545 3/20 0.58
KDM4E B2RXH2 3/20 0.58
MAPK1 P28482 3/20 0.58
GAA P10253 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
NTSR1 P30989 1/20 0.58
GSK3B P49841 1/20 0.52
L3MBTL1 Q9Y468 5/20 0.49
PSMD14 O00487 1/20 0.49
MMP2 P08253 1/20 0.49
SLC11A2 P49281 1/20 0.49
MMP14 P50281 1/20 0.49
RET P07949 1/20 0.49
HPGD P15428 8/20 0.48
CRHBP P24387 2/20 0.48

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
SCHEMBL14041251 1.00 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL4749194 1.00 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL23607622 0.84 METAP1 (0.58) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL23607623 0.84 METAP1 (0.58) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL990867 0.81 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL990866 0.81 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL12950283 0.80 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL10095181 0.76 MEN1 (0.78) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL22559862 0.74 KMT2A (1.00) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL29323764 0.74 MEN1 (1.00) MEN1KMT2AALDH1A1MAPTNPSR1

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 claimed