SCHEMBL9912933

SCHEMBL9912933

O=[N+]([O-])c1cccc(N(c2cccc(-n3c4ccc(N(c5cccc([N+](=O)[O-])c5)c5cccc6ccccc56)cc4c4cc(N(c5cccc([N+](=O)[O-])c5)c5cccc6ccccc56)ccc43)c2)c2cccc3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 6/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MPI P34949 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
LMNA P02545 2/20 0.36
ALOX5 P09917 1/20 0.36
HTR7 P34969 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SCN2A Q99250 1/20 0.36
ATM Q13315 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL9912966 0.95 SIGMAR1 (0.41) PDE4APDE4BPDE4CPDE4DSIGMAR1
SCHEMBL9912906 0.94 SIGMAR1 (0.41) PDE4APDE4BPDE4CPDE4DSIGMAR1
SCHEMBL9912901 0.87 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DSIGMAR1
SCHEMBL9912934 0.87 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DSIGMAR1
SCHEMBL9912982 0.86 ALDH1A1 (0.49) PDE4APDE4BPDE4CPDE4DSIGMAR1
SCHEMBL9912919 0.85 L3MBTL1 (0.38) SIGMAR1MPIHTR7KDM4EATM
SCHEMBL31528399 0.83 MAPT (0.48) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL18980971 0.83 KDM4E (0.46) SIGMAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL13557391 0.81 L3MBTL1 (0.42) SIGMAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL9912917 0.81 SIGMAR1 (0.37) SIGMAR1MEN1KMT2AMAPTMPI

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 1 patent. 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