SCHEMBL9912982

SCHEMBL9912982

O=[N+]([O-])c1ccc(N(c2ccc([N+](=O)[O-])cc2)c2ccc3c(c2)c2cc(N(c4ccc([N+](=O)[O-])cc4)c4ccc([N+](=O)[O-])cc4)ccc2n3-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ATM Q13315 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
TLR9 Q9NR96 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MPI P34949 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 2/20 0.37
SIGMAR1 Q99720 2/20 0.36
USP14 P54578 1/20 0.36
POLB P06746 2/20 0.35
PDE4A P27815 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
SCHEMBL9912901 0.97 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AATMCRHBP
SCHEMBL9912906 0.93 SIGMAR1 (0.41) ALDH1A1MEN1KMT2AATMCRHBP
SCHEMBL9912972 0.89 L3MBTL1 (0.38) ALDH1A1ATML3MBTL1MAPTSIGMAR1
SCHEMBL9912965 0.89 L3MBTL1 (0.38) ALDH1A1ATML3MBTL1MAPTSIGMAR1
SCHEMBL9913014 0.89 L3MBTL1 (0.38) ALDH1A1ATML3MBTL1MAPTSIGMAR1
SCHEMBL9912894 0.89 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AATMCRHBP
SCHEMBL9912998 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AATMCRHBP
SCHEMBL9912864 0.88 L3MBTL1 (0.39) ATML3MBTL1SIGMAR1CNR2
SCHEMBL12559428 0.86 L3MBTL1 (0.41) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL1981141 0.86 L3MBTL1 (0.41) ALDH1A1MEN1KMT2AATML3MBTL1

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