SCHEMBL9912906

SCHEMBL9912906

O=[N+]([O-])c1cccc(N(c2ccc(-n3c4ccc(N(c5cccc([N+](=O)[O-])c5)c5cccc6ccccc56)cc4c4cc(N(c5cccc([N+](=O)[O-])c5)c5cccc6ccccc56)ccc43)cc2)c2cccc3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.38
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TLR9 Q9NR96 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MPI P34949 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 2/20 0.36

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
SCHEMBL9912933 0.94 PDE4A (0.42) SIGMAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL9912901 0.93 ALDH1A1 (0.43) SIGMAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL9912982 0.93 ALDH1A1 (0.49) SIGMAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL9912966 0.93 SIGMAR1 (0.41) SIGMAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL9912893 0.87 MEN1 (0.51) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL9912912 0.87 MEN1 (0.43) SIGMAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL9912864 0.86 L3MBTL1 (0.39) SIGMAR1ATML3MBTL1KDM4ECNR2
SCHEMBL9912972 0.85 L3MBTL1 (0.38) SIGMAR1MAPTALDH1A1ATML3MBTL1
SCHEMBL9912965 0.85 L3MBTL1 (0.38) SIGMAR1MAPTALDH1A1ATML3MBTL1
SCHEMBL9913014 0.85 L3MBTL1 (0.38) SIGMAR1MAPTALDH1A1ATML3MBTL1

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