SCHEMBL8697889

SCHEMBL8697889

N#CCC(=O)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 1/20 0.44
ABL1 P00519 10/20 0.43
MERTK Q12866 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.40
PKM P14618 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
SCHEMBL11041589 0.85 MEN1 (0.56) MAPK1LMNAMEN1KMT2ARECQL
SCHEMBL9819321 0.83 PKM (0.58) MAPK1LMNAMEN1KMT2APKM
SCHEMBL11136197 0.80 ABL1 (0.49) LMNAABL1MEN1KMT2A
SCHEMBL5316948 0.79 MEN1 (0.46) LMNAMEN1KMT2ARECQLPKM
SCHEMBL11440523 0.79 HTT (0.55) GAAMAPK1RXFP1LMNAMEN1
SCHEMBL11435499 0.79 CYP1A2 (0.50) GAAMAPK1RXFP1LMNAMEN1
SCHEMBL14530921 0.78 KMT2A (0.42) LMNAMEN1KMT2ARECQLPKM
SCHEMBL9818959 0.78 MAPT (0.62) MAPK1LMNAMEN1KMT2APKM
SCHEMBL8986044 0.78 MEN1 (0.46) GAAMAPK1RXFP1LMNAMEN1
SCHEMBL6609242 0.77 MEN1 (0.47) GAALMNAMEN1KMT2A

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 3 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
EP-0805809-A2 AZA AND AZA (N-OXY) ANALOGS OF GLYCINE/NMDA RECEPTOR ANTAGONISTS State of Oregon through Oregon State Board of Higher Education for and on behalf of Oregon Health Sc. Univ. & Univ. of Oregon (US) 1997-11-12 EP 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