SCHEMBL8697187

SCHEMBL8697187

CC(=O)N(c1ccccc1)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
VCAM1 P19320 2/20 0.43
PDE7A Q13946 1/20 0.41
HCAR3 P49019 1/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MGLL Q99685 1/20 0.40
TSHR P16473 1/20 0.40
KIF18A Q8NI77 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CRHR1 P34998 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL8933173 0.87 LMNA (0.43) SMN1; SMN2ALDH1A1VCAM1PDE7AHCAR3
SCHEMBL8933217 0.87 TLR4 (0.41) SMN1; SMN2ALDH1A1VCAM1LMNAMEN1
SCHEMBL11551945 0.85 PDE7A (0.44) SMN1; SMN2ALDH1A1PDE7ALMNAMEN1
SCHEMBL8933428 0.84 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL8933437 0.84 TP53 (0.42) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL10527436 0.81 ATM (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL8933230 0.81 PAX8 (0.49) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7909935 0.77 MEN1 (0.52) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL11552606 0.77 MEN1 (0.52) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL8768229 0.75 TDP1 (0.54) HCAR3LMNAMEN1KMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5801183-A HETEROCYCLC ALCOHOLS FOR NERVOUS SYSTEM DISORDERS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1998-09-01 US disclosed
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