SCHEMBL4749150

SCHEMBL4749150

CCN(CC)c1ccc(C=C2C(=O)N(c3ccccn3)N=C2c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 6/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
POLB P06746 3/20 0.46
GAA P10253 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
THRB P10828 1/20 0.46
AR P10275 1/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RECQL P46063 1/20 0.45
GALK1 P51570 1/20 0.45
BLM P54132 1/20 0.45
PSMD14 O00487 1/20 0.45
MMP2 P08253 1/20 0.45
SLC11A2 P49281 1/20 0.45
MMP14 P50281 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PKM P14618 1/20 0.42

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
SCHEMBL4749377 1.00 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL13665941 0.87 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL4748813 0.86 KMT2A (0.60) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL14041425 0.86 KMT2A (0.60) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL4746375 0.74 KMT2A (0.62) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4746370 0.74 KMT2A (0.62) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL15964178 0.73 MEN1 (0.52) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL15686555 0.73 CD274 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL14198801 0.73 KMT2A (0.67) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL12924705 0.73 KMT2A (0.67) ALDH1A1MAPTMEN1KMT2APOLB

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