SCHEMBL7806963

SCHEMBL7806963

CC1=C(C#N)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(C#N)=C(C)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 3/20 0.52
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 11/20 0.50
KDM4E B2RXH2 10/20 0.50
MAPT P10636 9/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 3/20 0.50
CASP1 P29466 1/20 0.50
MET P08581 2/20 0.47
RPS6KA3 P51812 1/20 0.47
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HIF1A Q16665 1/20 0.43
CUL4A Q13619 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALOX15 P16050 2/20 0.40

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
SCHEMBL7807645 0.89 ALDH1A1 (0.51) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL7815153 0.85 KDM4E (0.60) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL7817348 0.83 MET (0.59) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL7806871 0.83 ALDH1A1 (0.53) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL7820657 0.79 KDM4E (0.61) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL7814851 0.76 ALDH1A1 (0.60) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL7807153 0.74 MAPT (0.48) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL3036231 0.73 MAOB (0.54) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL7820367 0.73 MET (0.50) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL9906888 0.72 ALDH1A1 (0.50) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E

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