SCHEMBL8873014

SCHEMBL8873014

O=C(C=NO)NNc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
EPHX1 P07099 2/20 0.47
EPHX2 P34913 2/20 0.47
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42

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
SCHEMBL733724 0.83 EPHX1 (0.59) MAPTGAAEPHX1EPHX2CA2
SCHEMBL14341919 0.83 EPHX1 (0.59) MAPTGAAEPHX1EPHX2CA2
SCHEMBL733725 0.83 EPHX1 (0.59) MAPTGAAEPHX1EPHX2CA2
SCHEMBL23367369 0.77 KMT2A (0.50) MAPTGAAMEN1KMT2ANPC1
SCHEMBL15541297 0.75 MAPT (0.59) MAPTGAAGLAEPHX1EPHX2
SCHEMBL27983351 0.75 MEN1 (0.69) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL8231131 0.74 MAPT (0.58) MAPTGAAGLAEPHX1EPHX2
SCHEMBL23367403 0.73 MEN1 (0.49) MAPTGAAMEN1KMT2ANPC1
SCHEMBL23367380 0.73 GAA (0.63) MAPTGAAMEN1KMT2ACYP1A2
SCHEMBL23354780 0.71 MAPT (0.44) MAPTGAAEPHX1EPHX2CA2

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-5597922-A Glycine receptor antagonist pharmacophore 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) 1997-01-28 US disclosed
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE 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, EUGENE OREGON (US) 1996-02-15 WO disclosed