SCHEMBL5813834

SCHEMBL5813834

COC(=O)C(C)(c1cc([N+](=O)[O-])ccc1Cl)c1cc(Cl)ccc1[N+](=O)[O-].COC(=O)c1ccc(Cl)c(C(C#N)c2cc(Cl)ccc2[N+](=O)[O-])c1.COC(=O)c1ccc(Cl)c(C(C)(C#N)c2cc(Cl)ccc2[N+](=O)[O-])c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
POLB P06746 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
HTT P42858 1/20 0.31
VCAM1 P19320 1/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL5815714 0.92
SCHEMBL5802171 0.81 LMNA (0.45) LMNAPOLBTDP1HTTVCAM1
SCHEMBL5806417 0.80 LMNA (0.46) LMNAPOLBTDP1HTTVCAM1
SCHEMBL5801804 0.80 LMNA (0.46) LMNAPOLBTDP1HTTVCAM1
SCHEMBL5802478 0.80 LMNA (0.46) LMNAPOLBTDP1HTTVCAM1
SCHEMBL5804422 0.78 NPSR1 (0.44) LMNAPOLBTDP1HTTMAPT
SCHEMBL5802840 0.73 TSHR (0.46) LMNAPOLBTDP1HTTMAPT
SCHEMBL5802842 0.73 TSHR (0.46) LMNAPOLBTDP1HTTMAPT
SCHEMBL5802848 0.73 TSHR (0.46) LMNAPOLBTDP1HTTMAPT
SCHEMBL5804956 0.73 LMNA (0.46) LMNAPOLBTDP1HTTVCAM1

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
WO-2006079857-A1 DIARYL ACETIC ACID DERIVATIVES AND THE PREPARATION THEREOF SANOFI-AVENTIS (FR) 2006-08-03 WO disclosed