SCHEMBL6474060

SCHEMBL6474060

COc1ccc(N(c2ccccc2)c2ccc(N)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.69
ALDH1A1 P00352 3/20 0.69
KDM4E B2RXH2 3/20 0.69
CYP3A4 P08684 2/20 0.69
MAPT P10636 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MAPK1 P28482 1/20 0.61
APP P05067 2/20 0.50
NR4A1 P22736 1/20 0.50
CA4 P22748 1/20 0.48
LTA4H P09960 2/20 0.47
MAOA P21397 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 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
SCHEMBL17032630 0.92 TDP1 (0.73) TDP1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL15746103 0.92 TDP1 (0.73) TDP1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL17817841 0.92 TDP1 (0.73) TDP1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL6538839 0.92 TDP1 (0.73) TDP1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL13070196 0.90 TRPA1 (0.61) TDP1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL13720596 0.90 CA4 (0.59) TDP1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL13720899 0.90 CA4 (0.59) TDP1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL3339294 0.90 CA4 (0.59) TDP1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL13720711 0.90 CA4 (0.59) TDP1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL10065630 0.90 CA4 (0.59) TDP1ALDH1A1KDM4ECYP3A4MAPT

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-20050194586-A1 Luminous element and method for preparation thereof JOLED INC (JP) 2005-09-08 US disclosed