SCHEMBL5803274

SCHEMBL5803274

COC(=O)c1ccc(Cl)c(CC(C#N)c2cc(Cl)ccc2[N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
VCAM1 P19320 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
CMA1 P23946 1/20 0.38
AR P10275 1/20 0.38
PELP1 Q8IZL8 1/20 0.38
ATM Q13315 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5802615 0.84 HTT (0.46) HTTLMNAKMT2AMEN1TDP1
SCHEMBL5802171 0.82 LMNA (0.45) HTTLMNATDP1VCAM1POLB
SCHEMBL5803271 0.79 HTT (0.43) HTTLMNATDP1VCAM1POLB
SCHEMBL5801377 0.75 LMNA (0.47) HTTLMNAKMT2AMEN1TDP1
SCHEMBL5804503 0.74 HTT (0.48) HTTLMNAKMT2AMEN1TDP1
SCHEMBL5804519 0.74 HTT (0.48) HTTLMNAKMT2AMEN1TDP1
SCHEMBL5802613 0.74 HTT (0.48) HTTLMNAKMT2AMEN1TDP1
SCHEMBL5802820 0.72 POLB (0.51) LMNAKMT2AMEN1VCAM1POLB
SCHEMBL4850984 0.72 ALDH1A1 (0.47) LMNAKMT2AMEN1TDP1VCAM1
SCHEMBL51755 0.70 LMNA (0.72) HTTLMNAKMT2AMEN1VCAM1

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