SCHEMBL4749100

SCHEMBL4749100

CC1=NN(c2ccccn2)C(=O)C1=Cc1ccc2c(c1)OCO2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.55
MAPT P10636 5/20 0.55
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
DYRK2 Q92630 5/20 0.46
DYRK3 O43781 3/20 0.46
DYRK1A Q13627 3/20 0.46
DYRK1B Q9Y463 3/20 0.46
PIM1 P11309 2/20 0.46
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
MEN1 O00255 4/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.45
PRKCE Q02156 1/20 0.44

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
SCHEMBL4749098 1.00 KMT2A (0.55) KMT2AMAPTKDM4EALDH1A1DYRK2
SCHEMBL19721154 0.77 MAPT (0.50) KMT2AMAPTKDM4EALDH1A1DYRK2
SCHEMBL3885765 0.76 MEN1 (0.61) KMT2AMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL3885759 0.76 MEN1 (0.61) KMT2AMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL3887396 0.75 KMT2A (0.60) KMT2AMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL3887393 0.75 KMT2A (0.60) KMT2AMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL418900 0.74 MAPT (0.55) KMT2AMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL448179 0.74 MAPT (0.55) KMT2AMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL14041425 0.73 KMT2A (0.60) KMT2AMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL4748813 0.73 KMT2A (0.60) KMT2AMAPTKDM4EALDH1A1L3MBTL1

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