SCHEMBL7814723

SCHEMBL7814723

CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
RCE1 Q9Y256 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ATM Q13315 1/20 0.48
NR3C2 P08235 2/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 2/20 0.45
PDE1C Q14123 1/20 0.45
ABCC4 O15439 1/20 0.45
PLIN1 O60240 1/20 0.45
CACNA1F O60840 1/20 0.45
GMNN O75496 1/20 0.45

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
SCHEMBL3049870 0.89 KMT2A (0.49) MAPTKDM4EKMT2AMEN1RCE1
SCHEMBL3059360 0.85 KDM4E (0.64) MAPTKDM4EKMT2AMEN1RCE1
SCHEMBL2996737 0.83 MAPT (0.70) MAPTKDM4EKMT2AMEN1NPSR1
SCHEMBL2995982 0.82 NR3C2 (0.60) MAPTKDM4EKMT2AMEN1RCE1
SCHEMBL9401663 0.81 KDM4E (0.58) MAPTKDM4EKMT2AMEN1RCE1
SCHEMBL3016302 0.79 ALDH1A1 (0.62) MAPTKDM4EKMT2AMEN1NPSR1
SCHEMBL11829270 0.79 CYP2C9 (0.67) MAPTKDM4EKMT2AMEN1RCE1
SCHEMBL202183 0.77 CACNA1C (0.73) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL29358809 0.77 CACNA1C (0.73) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL20954359 0.76 FFAR3 (0.47) MAPTKMT2AMEN1NR3C2ALDH1A1

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