SCHEMBL8933217

SCHEMBL8933217

CC(=O)N(c1cccc(Oc2ccccc2)c1)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
VCAM1 P19320 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
XDH P47989 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.37
FFAR1 O14842 2/20 0.37
THRB P10828 2/20 0.37
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX5 P09917 2/20 0.37
KMO O15229 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL8933437 0.89 TP53 (0.42) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL8697187 0.87 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KDM4EVCAM1MAPT
SCHEMBL8933173 0.82 LMNA (0.43) ALDH1A1SMN1; SMN2VCAM1POLBMAPT
SCHEMBL8933428 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBMAPTMEN1
SCHEMBL27854365 0.76 MEN1 (0.53) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL8933230 0.74 PAX8 (0.49) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11551945 0.73 PDE7A (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5464215 0.72 MEN1 (0.46) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL7909935 0.72 MEN1 (0.52) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL11552606 0.72 MEN1 (0.52) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT

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-1996022990-A2 AZA AND AZA (N-OXY) ANALOGS OF GLYCINE/NMDA RECEPTOR ANTAGONISTS STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1996-08-01 WO disclosed