SCHEMBL21363333

SCHEMBL21363333

O=C(CN1C(=O)C=CC1=O)Nc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
HPGD P15428 2/20 0.55
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CDYL2 Q8N8U2 1/20 0.39
CDYL Q9Y232 1/20 0.39
CDY1; CDY1B Q9Y6F8 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL21363735 0.85 ALDH1A1 (0.50) KDM4EALDH1A1MAPTHPGDHDAC1
SCHEMBL12571815 0.81 CYP2C19 (0.60) KDM4EALDH1A1MAPTHPGDHDAC1
SCHEMBL9781616 0.79 ALDH1A1 (0.68) KDM4EALDH1A1MAPTHPGDHDAC1
SCHEMBL29581528 0.77 ALDH1A1 (0.64) KDM4EALDH1A1MAPTHPGDHDAC1
SCHEMBL12571786 0.77 ALDH1A1 (0.69) KDM4EALDH1A1MAPTHPGDHDAC1
SCHEMBL1751717 0.77 ALDH1A1 (0.69) KDM4EALDH1A1MAPTHPGDHDAC1
SCHEMBL2010962 0.77 ALDH1A1 (0.64) KDM4EALDH1A1MAPTHPGDHDAC1
SCHEMBL31613217 0.77 ALDH1A1 (0.69) KDM4EALDH1A1MAPTHPGDHDAC1
SCHEMBL13432603 0.76 CYP2C19 (0.55) KDM4EALDH1A1MAPTHPGDHDAC1
SCHEMBL21363524 0.74 ALDH1A1 (0.42) KDM4EALDH1A1MAPTHPGDHDAC1

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
US-20190285576-A1 SEMICONDUCTOR SENSOR, METHOD FOR PRODUCING THE SAME, AND COMBINED SENSOR TORAY INDUSTRIES, INC. (JP) 2019-09-19 US disclosed