SCHEMBL4745704

SCHEMBL4745704

CCN(CC)c1ccc(C=C2C(=O)N(c3cccnc3)N=C2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.58
MEN1 O00255 9/20 0.58
MAPT P10636 8/20 0.58
L3MBTL1 Q9Y468 7/20 0.58
NPSR1 Q6W5P4 2/20 0.58
KDM4E B2RXH2 1/20 0.58
PSMD14 O00487 1/20 0.58
MMP2 P08253 1/20 0.58
SLC11A2 P49281 1/20 0.58
MMP14 P50281 1/20 0.58
ALDH1A1 P00352 5/20 0.50
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL14041269 1.00 KMT2A (0.58) KMT2AMEN1MAPTL3MBTL1NPSR1
SCHEMBL12924705 0.88 KMT2A (0.67) KMT2AMEN1MAPTL3MBTL1NPSR1
SCHEMBL14198801 0.88 KMT2A (0.67) KMT2AMEN1MAPTL3MBTL1NPSR1
SCHEMBL4746375 0.82 KMT2A (0.62) KMT2AMEN1MAPTL3MBTL1NPSR1
SCHEMBL4746370 0.82 KMT2A (0.62) KMT2AMEN1MAPTL3MBTL1NPSR1
SCHEMBL4748813 0.80 KMT2A (0.60) KMT2AMEN1MAPTL3MBTL1NPSR1
SCHEMBL14041425 0.80 KMT2A (0.60) KMT2AMEN1MAPTL3MBTL1NPSR1
SCHEMBL14041333 0.79 KMT2A (0.57) KMT2AMEN1MAPTL3MBTL1NPSR1
SCHEMBL5706419 0.78 KAT8 (0.71) KMT2AMEN1MAPTL3MBTL1NPSR1
SCHEMBL5706420 0.78 KAT8 (0.71) KMT2AMEN1MAPTL3MBTL1NPSR1

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