SCHEMBL7815167

SCHEMBL7815167

CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C#N)=C(C)N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
MAPT P10636 5/20 0.62
HPGD P15428 4/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
LMNA P02545 1/20 0.62
ALOX12 P18054 1/20 0.62
KDM4E B2RXH2 8/20 0.50
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
MET P08581 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
SCHEMBL7585860 0.83 ADORA3 (0.72) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3037209 0.79 KMT2A (0.50) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL14612811 0.77 KDM4E (0.46) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7817770 0.76 MET (0.53) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7814851 0.76 ALDH1A1 (0.60) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7807153 0.74 MAPT (0.48) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7034433 0.74 CACNA1B (0.64) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL204910 0.74 CUL4A (0.64) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7265997 0.73 MAPT (0.58) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL7806871 0.73 ALDH1A1 (0.53) ALDH1A1MAPTHPGDKMT2AMEN1

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-6265127-B1 1, 4-dihydrophyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY 2001-07-24 US disclosed
EP-1109070-A2 1,4-Dihydropyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY (US) 2001-06-20 EP disclosed