SCHEMBL9913053

SCHEMBL9913053

c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc54)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ATM Q13315 2/20 0.41
TSPO P30536 2/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC4 P56524 1/20 0.35
APP P05067 2/20 0.35
NR3C1 P04150 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9913039 1.00 L3MBTL1 (0.41) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL19267532 0.98 KDM4E (0.40) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL20707427 0.98 KDM4E (0.40) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL18058666 0.98 KDM4E (0.40) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL13125954 0.98 KDM4E (0.40) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL20707446 0.98 KDM4E (0.40) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL20707520 0.98 KDM4E (0.40) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL20938569 0.98 KDM4E (0.40) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL21348368 0.98 KDM4E (0.40) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL4567331 0.98 KDM4E (0.40) L3MBTL1KDM4EATMTSPOALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed
US-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed