SCHEMBL9913003

SCHEMBL9913003

Cc1cccc(N(c2ccccc2)c2ccc(-n3c4cc(N(c5ccccc5)c5cccc(C)c5)ccc4c4ccc(N(c5ccccc5)c5cccc(C)c5)cc43)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
APP P05067 1/20 0.37
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
HTR7 P34969 1/20 0.34
HPGD P15428 3/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 5/20 0.34
USP2 O75604 2/20 0.34
ALOX15 P16050 2/20 0.34
MAPT P10636 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAT2A P31153 2/20 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
SCHEMBL9913012 1.00 KDM4E (0.37) KDM4EL3MBTL1ATMAPPPER2
SCHEMBL9912994 0.97 HPGD (0.35) KDM4EL3MBTL1ATMAPPPER2
SCHEMBL9913026 0.92 TDP1 (0.38) KDM4EL3MBTL1ATMAPPPER2
SCHEMBL18807390 0.92 KDM4E (0.44) KDM4EL3MBTL1ATMAPPPER2
SCHEMBL12610972 0.92 KDM4E (0.44) KDM4EL3MBTL1ATMAPPPER2
SCHEMBL24797176 0.91 KDM4E (0.49) KDM4EL3MBTL1ATMAPPPER2
SCHEMBL9913005 0.91 APP (0.41) KDM4EL3MBTL1ATMAPPHPGD
SCHEMBL9912997 0.91 TDP1 (0.39) L3MBTL1APPPER2CRY1CRY2
SCHEMBL12249796 0.90 KDM4E (0.46) KDM4EL3MBTL1ATMAPPPER2
SCHEMBL9913016 0.89 L3MBTL1 (0.45) KDM4EL3MBTL1ATMAPPHTT

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