SCHEMBL15312985

SCHEMBL15312985

CC(/C=C(/C)Nc1ccccc1)=Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 3/20 0.56
GAA P10253 3/20 0.56
TDP1 Q9NUW8 3/20 0.50
KMT2A Q03164 3/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
LMNA P02545 1/20 0.50
CYP2D6 P10635 1/20 0.50
SLC6A2 P23975 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5681453 1.00 MAPT (0.56) MAPTKDM4EHPGDGAATDP1
SCHEMBL5681448 1.00 MAPT (0.56) MAPTKDM4EHPGDGAATDP1
SCHEMBL15312987 1.00 MAPT (0.56) MAPTKDM4EHPGDGAATDP1
SCHEMBL15312983 1.00 MAPT (0.56) MAPTKDM4EHPGDGAATDP1
SCHEMBL14962067 0.81 MAPT (0.59) MAPTKDM4EHPGDGAATDP1
SCHEMBL26051008 0.81 NOS1 (0.47) MAPTKDM4EHPGDGAATDP1
SCHEMBL5838724 0.81 GRIN2D (0.54) MAPTKDM4EHPGDGAATDP1
SCHEMBL5838730 0.81 GRIN2D (0.54) MAPTKDM4EHPGDGAATDP1
SCHEMBL17875362 0.80 GRIN2D (0.41) MAPTKDM4EHPGDGAAGRIN2D
SCHEMBL17875369 0.78 NOS3 (0.37) MAPTKDM4EHPGDGAATDP1

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-20130274144-A1 COMPOUNDS, REACTIONS, AND SCREENING METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLIOIS (US) 2013-10-17 US disclosed