SCHEMBL9099494

SCHEMBL9099494

O=Cc1ccccc1C(=O)OC([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ERN1 O75460 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
PTGS2 P35354 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
AR P10275 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
SCHEMBL6796993 0.77 TSHR (0.56) LMNAMEN1KMT2ATHRBBLM
SCHEMBL2222781 0.77 NPC1 (0.51) LMNAMEN1KMT2ATHRBBLM
SCHEMBL17005576 0.73 TSHR (0.55) LMNAMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL6199923 0.72 LMNA (0.48) LMNAMEN1KMT2ATHRBBLM
SCHEMBL14039520 0.72 ALDH1A1 (0.46) LMNAKMT2ASMN1; SMN2GAAMAPT
SCHEMBL1092957 0.72 SCN1A (0.44) LMNAMEN1KMT2ATHRBBLM
SCHEMBL6304130 0.72 HCAR2 (0.50) LMNAMEN1KMT2ATHRBBLM
SCHEMBL733572 0.72 MAPT (0.57) KMT2ASMN1; SMN2GAAMAPTALDH1A1
SCHEMBL30635255 0.71 LMNA (0.57) LMNAMEN1KMT2ATHRBBLM
SCHEMBL121356 0.71 LMNA (0.57) LMNAMEN1KMT2ATHRBBLM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489714-A Method of synthesizing 2,6-dinitro benzyl compounds PPG INDUSTRIES, INC. (US) 1996-02-06 US claimed
US-5449834-A Method of synthesizing 2,6-dinitro benzyl compounds PPG INDUSTRIES, INC. (US) 1995-09-12 US claimed
US-5489714-A Method of synthesizing 2,6-dinitro benzyl compounds PPG INDUSTRIES, INC. (US) 1996-02-06 US disclosed
US-5489714-A Method of synthesizing 2,6-dinitro benzyl compounds PPG INDUSTRIES, INC. (US) 1996-02-06 US disclosed
US-5449834-A Method of synthesizing 2,6-dinitro benzyl compounds PPG INDUSTRIES, INC. (US) 1995-09-12 US disclosed
US-5449834-A Method of synthesizing 2,6-dinitro benzyl compounds PPG INDUSTRIES, INC. (US) 1995-09-12 US disclosed