SCHEMBL8933173

SCHEMBL8933173

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.38
ACHE P22303 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
USP7 Q93009 1/20 0.36
USP47 Q96K76 1/20 0.36
ATM Q13315 1/20 0.36
CRHR1 P34998 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 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
SCHEMBL8697187 0.87 SMN1; SMN2 (0.46) LMNAALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL8933437 0.84 TP53 (0.42) LMNAALDH1A1MAPTTSHRPOLB
SCHEMBL8933217 0.82 TLR4 (0.41) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL8933428 0.78 ALDH1A1 (0.50) LMNAALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL8933230 0.74 PAX8 (0.49) LMNAALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL11551945 0.73 PDE7A (0.44) LMNAALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL30641686 0.72 TSHR (0.40) LMNAALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL9789009 0.71 LMNA (0.40) LMNAALDH1A1MAPTTSHRACHE
SCHEMBL1947881 0.71 LMNA (0.48) LMNAALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL22917197 0.71 HSD17B1 (0.45) LMNAALDH1A1MAPTSMN1; SMN2TSHR

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