SCHEMBL8933437

SCHEMBL8933437

COc1cccc(N(C(C)=O)c2cc(Cl)c(Cl)cc2[N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
RAF1 P04049 1/20 0.42
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
PIN1 Q13526 1/20 0.41
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL8933217 0.89 TLR4 (0.41) MAPTALDH1A1LMNAPIN1POLB
SCHEMBL8933428 0.87 ALDH1A1 (0.50) HTTMAPTHPGDALDH1A1LMNA
SCHEMBL8933173 0.84 LMNA (0.43) HTTMAPTALDH1A1LMNAPAX8
SCHEMBL8697187 0.84 SMN1; SMN2 (0.46) HTTMAPTHPGDALDH1A1LMNA
SCHEMBL8933230 0.79 PAX8 (0.49) HTTMAPTHPGDALDH1A1LMNA
SCHEMBL7909935 0.78 MEN1 (0.52) MAPTALDH1A1LMNAMAPK1POLB
SCHEMBL11552606 0.78 MEN1 (0.52) MAPTALDH1A1LMNAMAPK1POLB
SCHEMBL7985806 0.72 MEN1 (0.65) TP53HTTMTNR1AMTNR1BMEN1
SCHEMBL30285730 0.72 HTT (0.44) TP53HTTMAPTHPGDALDH1A1
SCHEMBL29005449 0.72 HTT (0.44) TP53HTTMAPTHPGDALDH1A1

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