SCHEMBL8897535

SCHEMBL8897535

Cc1cccc2[nH]c(=O)c([N+](=O)[O-])c(O)c12

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 10/20 0.72
GRIN3B O60391 10/20 0.72
GRIN1 Q05586 10/20 0.72
GRIN2A Q12879 10/20 0.72
GRIN2B Q13224 10/20 0.72
GRIN2C Q14957 10/20 0.72
GRIN3A Q8TCU5 10/20 0.72
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
DAO P14920 1/20 0.45
DDO Q99489 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.44
PARP1 P09874 2/20 0.43

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
SCHEMBL8898653 0.80 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8897751 0.79 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8897835 0.78 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3260447 0.76 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8897979 0.74 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872873 0.74 GRIN2D (0.82) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3422204 0.73 DAO (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873684 0.72 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8874302 0.72 GRIN2D (0.86) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2483507 0.72 KDM4E (0.50) ALDH1A1TDP1DAODDOKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622965-A CENTRAL 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, EUGENE OREGON (US) 1997-04-22 US disclosed