SCHEMBL8873079

SCHEMBL8873079

O=C1NCc2c(cccc2[N+](=O)[O-])N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
GPR35 Q9HC97 1/20 0.39
POLB P06746 1/20 0.39
S100A4 P26447 1/20 0.39
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
XDH P47989 1/20 0.38
PNMT P11086 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.37
KDM4A O75164 1/20 0.37
TDP2 O95551 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL31108692 0.77 PGR (0.48) TDP1GPR35POLBS100A4MAPT
SCHEMBL260802 0.77 PGR (0.48) TDP1GPR35POLBS100A4MAPT
SCHEMBL3594575 0.75 KIF11 (0.46) TDP1GPR35POLBS100A4MAPT
SCHEMBL8805931 0.75 PNMT (0.44) TDP1GPR35POLBS100A4MAPT
SCHEMBL2061513 0.74 PNMT (0.50) TDP1GPR35POLBS100A4MAPT
SCHEMBL3642171 0.74 PDE3B (0.37) CA1CA2CA7CA9
SCHEMBL31316525 0.73 CDK5 (0.54) TDP1GPR35POLBS100A4MAPT
SCHEMBL869059 0.73 CDK5 (0.54) TDP1GPR35POLBS100A4MAPT
SCHEMBL3939120 0.73 POLB (0.49) TDP1GPR35POLBS100A4MAPT
SCHEMBL4115777 0.73 CDK5 (0.53) CA1CA2CA7CA9

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