SCHEMBL13996972

SCHEMBL13996972

CC(C)(C)c1nn(-c2ccccn2)c(N=Nc2c(O)n(-c3ccccc3)n(-c3ccccc3)c2=O)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
KDM4E B2RXH2 5/20 0.34
PKM P14618 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
GAA P10253 2/20 0.32
GRM2 Q14416 1/20 0.32
DPP4 P27487 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MPL P40238 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
SLC11A2 P49281 1/20 0.31
RECQL P46063 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL13996968 0.94 MAPT (0.35) MAPTKDM4EPKMKMT2AMEN1
SCHEMBL13996856 0.86 MAPT (0.40) MAPTKDM4EPKMKMT2AMEN1
SCHEMBL14227815 0.85 PKM (0.33) MAPTKDM4EPKMKMT2AMEN1
SCHEMBL14227933 0.85 PKM (0.33) MAPTKDM4EPKMKMT2AMEN1
SCHEMBL14001829 0.85
SCHEMBL14224283 0.85 MAPT (0.38) MAPTKDM4EPKMKMT2AMEN1
SCHEMBL13996855 0.83 KDM4E (0.41) MAPTKDM4EPKMKMT2AMEN1
SCHEMBL14224295 0.82 TP53 (0.36) MAPTKDM4EKMT2AMEN1TP53
SCHEMBL4742553 0.80 DPP4 (0.37) MAPTPKMTP53MDM2GAA
SCHEMBL13996858 0.80 KMT2A (0.42) MAPTKDM4EPKMKMT2AMEN1

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
US-20080310293-A1 OPTICAL INFORMATION RECORDING MEDIUM AND METHOD OF RECORDING INFORMATION FUJIFILM CORPORATION (JP) 2008-12-18 US disclosed
US-20080081285-A1 OPTICAL INFORMATION RECORDING MEDUM AND AZO-METAL COMPLEX DYE FUJIFILM CORPORATION (JP) 2008-04-03 US disclosed