SCHEMBL9913016

SCHEMBL9913016

c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4c5ccc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5n(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
KDM4E B2RXH2 2/20 0.45
ATM Q13315 2/20 0.45
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
APP P05067 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TLR9 Q9NR96 1/20 0.35
MAT2A P31153 9/20 0.34
HSD17B10 Q99714 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
SCHEMBL9913018 1.00 L3MBTL1 (0.45) L3MBTL1KDM4EATMALDH1A1CYP1A2
SCHEMBL9912990 1.00 L3MBTL1 (0.45) L3MBTL1KDM4EATMALDH1A1CYP1A2
SCHEMBL10132175 0.96 L3MBTL1 (0.50) L3MBTL1KDM4EATMALDH1A1CYP1A2
SCHEMBL11921989 0.95 KDM4E (0.55) L3MBTL1KDM4EATMALDH1A1CYP1A2
SCHEMBL11922009 0.93 KDM4E (0.58) L3MBTL1KDM4EATMALDH1A1CYP1A2
SCHEMBL22725744 0.93 L3MBTL1 (0.47) L3MBTL1KDM4EATMALDH1A1CYP1A2
SCHEMBL14073232 0.93 L3MBTL1 (0.47) L3MBTL1KDM4EATMALDH1A1CYP1A2
SCHEMBL9913005 0.92 APP (0.41) L3MBTL1KDM4EATMALDH1A1CYP1A2
SCHEMBL24514833 0.91 KDM4E (0.60) L3MBTL1KDM4EATMALDH1A1CYP1A2
SCHEMBL10018648 0.91 L3MBTL1 (0.46) L3MBTL1KDM4EATMALDH1A1CYP1A2

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