SCHEMBL5803271

SCHEMBL5803271

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
VCAM1 P19320 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
F11 P03951 1/20 0.39
KLKB1 P03952 1/20 0.39
CMA1 P23946 1/20 0.39
AR P10275 1/20 0.39
PELP1 Q8IZL8 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5802171 0.85 LMNA (0.45) HTTLMNATDP1VCAM1POLB
SCHEMBL5801377 0.80 LMNA (0.47) HTTLMNATDP1VCAM1POLB
SCHEMBL5803274 0.79 HTT (0.45) HTTLMNATDP1VCAM1POLB
SCHEMBL5804519 0.77 HTT (0.48) HTTLMNATDP1VCAM1POLB
SCHEMBL5804503 0.77 HTT (0.48) HTTLMNATDP1VCAM1POLB
SCHEMBL5802615 0.75 HTT (0.46) HTTLMNATDP1VCAM1POLB
SCHEMBL5802613 0.75 HTT (0.48) HTTLMNATDP1VCAM1POLB
SCHEMBL4446049 0.72 VCAM1 (0.53) LMNAVCAM1POLBARPELP1
SCHEMBL4433135 0.72 VCAM1 (0.53) LMNAVCAM1POLBARPELP1
SCHEMBL11137980 0.71 ALDH1A1 (0.61) HTTLMNATDP1VCAM1POLB

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