SCHEMBL8933230

SCHEMBL8933230

COc1ccccc1N(C(C)=O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.49
TLR9 Q9NR96 1/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 8/20 0.46
TDP1 Q9NUW8 2/20 0.46
SNCA P37840 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 5/20 0.41
RORC P51449 1/20 0.41
HTT P42858 2/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
PIN1 Q13526 1/20 0.39
HPGD P15428 2/20 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
SCHEMBL8697187 0.81 SMN1; SMN2 (0.46) LMNAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL8933428 0.79 ALDH1A1 (0.50) PAX8LMNAALDH1A1NPC1RAB9A
SCHEMBL8933437 0.79 TP53 (0.42) PAX8LMNAALDH1A1NPC1RAB9A
SCHEMBL8933217 0.74 TLR4 (0.41) LMNAALDH1A1TDP1MEN1KMT2A
SCHEMBL8933173 0.74 LMNA (0.43) PAX8LMNAALDH1A1NPC1RAB9A
SCHEMBL31393778 0.70 PAX8 (0.56) PAX8TLR9ALDH1A1NPC1RAB9A
SCHEMBL27587707 0.69 ALDH1A1 (0.50) LMNAALDH1A1TDP1SNCAL3MBTL1
SCHEMBL7574179 0.69 TSPO (0.65) PAX8TLR9ALDH1A1L3MBTL1RAB9A
SCHEMBL10983166 0.69 LMNA (0.51) PAX8LMNAALDH1A1TDP1L3MBTL1
SCHEMBL9116525 0.68 MAPT (0.62) LMNAALDH1A1TDP1L3MBTL1NPC1

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