SCHEMBL8874146

SCHEMBL8874146

O=C1Nc2cc(F)cc(F)c2NC1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.36
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PGR P06401 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8873688 0.82 TGM2 (0.31) TGM2
SCHEMBL8873247 0.73 ALDH1A1 (0.35) KMT2A
SCHEMBL8872276 0.73 TSHR (0.37) MEN1KMT2A
SCHEMBL8872554 0.73 TSHR (0.33)
SCHEMBL8871568 0.70 GRIN2D (0.40) TDP1MEN1KMT2A
SCHEMBL8872392 0.70 TSHR (0.45) TDP1MEN1KMT2A
SCHEMBL8872772 0.70 GRIN2D (0.31)
SCHEMBL8872615 0.67 CREBBP (0.52) TDP1MEN1KMT2A
SCHEMBL8873640 0.64 TGM2 (0.46) TGM2PGR
SCHEMBL9055573 0.64 CES1 (0.47)

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-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 claimed
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