SCHEMBL6003816

SCHEMBL6003816

CN(C)c1ccc(N=Nc2ccc(C=C(C#N)C#N)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.81
MEN1 O00255 9/20 0.81
ALDH1A1 P00352 8/20 0.81
MAPT P10636 8/20 0.81
APP P05067 2/20 0.55
KDM4E B2RXH2 5/20 0.55
NPSR1 Q6W5P4 3/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 2/20 0.55
RAB9A P51151 5/20 0.51
MAPK1 P28482 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 3/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
THRB P10828 2/20 0.49
CISD1 Q9NZ45 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL1227106 0.90 MAPT (1.00) KMT2AMEN1ALDH1A1MAPTAPP
SCHEMBL6003482 0.85 MAPT (0.89) KMT2AMEN1ALDH1A1MAPTAPP
SCHEMBL13913968 0.85 MAPT (0.89) KMT2AMEN1ALDH1A1MAPTAPP
SCHEMBL11662713 0.83 MAPT (0.71) KMT2AMEN1ALDH1A1MAPTAPP
SCHEMBL13904925 0.82 MAPT (0.83) KMT2AMEN1ALDH1A1MAPTAPP
SCHEMBL11740232 0.80 ALDH1A1 (0.80) KMT2AMEN1ALDH1A1MAPTAPP
SCHEMBL11740240 0.80 ALDH1A1 (0.80) KMT2AMEN1ALDH1A1MAPTAPP
SCHEMBL9161067 0.80 MEN1 (0.51) KMT2AMEN1ALDH1A1MAPTAPP
SCHEMBL9161071 0.80 MEN1 (0.51) KMT2AMEN1ALDH1A1MAPTAPP
SCHEMBL17208809 0.77 ALDH1A1 (0.73) KMT2AMEN1ALDH1A1MAPTAPP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7092608-B2 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-15 US disclosed
US-7082244-B2 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2006-07-25 US disclosed
US-20060159413-A1 POLYIMIDE OPTICAL MATERIALS, POLYIMIDE PRECURSOR SOLUTIONS AND OPTICAL WAVEGUIDE ELEMENTS KABUSHIKI KAISHA TOSHIBA (JP) 2006-07-20 US disclosed
US-20040197064-A1 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2004-10-07 US disclosed