SCHEMBL9912945

SCHEMBL9912945

Cc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(C)cc3)cc(-n3c4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4c4cc(N(c5ccccc5)c5ccc(C)cc5)ccc43)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
KDM4E B2RXH2 6/20 0.33
MAPT P10636 6/20 0.33
CYP2C19 P33261 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.33
GFER P55789 1/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.32

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
SCHEMBL15595253 0.96 KDM4E (0.41) APPKDM4EMAPTCYP2C19L3MBTL1
SCHEMBL15595166 0.96 KDM4E (0.41) APPKDM4EMAPTCYP2C19L3MBTL1
SCHEMBL15595174 0.96 APP (0.36) APPKDM4EMAPTCYP2C19L3MBTL1
SCHEMBL9912960 0.94 POLB (0.35) KDM4EMAPTALDH1A1GAAPOLB
SCHEMBL15595215 0.93 KDM4E (0.41) APPKDM4EMAPTCYP2C19L3MBTL1
SCHEMBL15595074 0.93 KDM4E (0.41) APPKDM4EMAPTCYP2C19L3MBTL1
SCHEMBL9912941 0.92 L3MBTL1 (0.38) APPKDM4EMAPTCYP2C19L3MBTL1
SCHEMBL9912951 0.92 HTT (0.39) APPKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL9912944 0.92 ALDH1A1 (0.34) APPKDM4EMAPTCYP2C19L3MBTL1
SCHEMBL9912915 0.91 KDM4E (0.37) APPKDM4EMAPTCYP2C19L3MBTL1

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