SCHEMBL9912979

SCHEMBL9912979

c1ccc(N(c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APP P05067 1/20 0.32
HTT P42858 2/20 0.32
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL9912967 1.00 KDM4E (0.38) KDM4EL3MBTL1ATMALDH1A1MAPT
SCHEMBL9912866 1.00 KDM4E (0.38) KDM4EL3MBTL1ATMALDH1A1MAPT
SCHEMBL12559426 0.97 KDM4E (0.42) KDM4EL3MBTL1ATMALDH1A1MAPT
SCHEMBL12559427 0.97 KDM4E (0.42) KDM4EL3MBTL1ATMALDH1A1MAPT
SCHEMBL9912871 0.97 L3MBTL1 (0.36) KDM4EL3MBTL1ATMALDH1A1MAPT
SCHEMBL13341838 0.95 HSP90AA1 (0.35) KDM4EL3MBTL1ATMALDH1A1MAPT
SCHEMBL12856876 0.95 KDM4E (0.43) KDM4EL3MBTL1ATMALDH1A1MAPT
SCHEMBL21587156 0.94 HSP90AA1 (0.36) KDM4EL3MBTL1ATMALDH1A1MAPT
SCHEMBL12559423 0.94 HSP90AA1 (0.36) KDM4EL3MBTL1ATMALDH1A1MAPT
SCHEMBL12559390 0.93 KDM4E (0.50) KDM4EL3MBTL1ATMALDH1A1MAPT

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