SCHEMBL8873064

SCHEMBL8873064

Cc1cc2c(c([N+](=O)[O-])c1C)Nc1c(O)nnc(O)c1N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
ALDH1A1 P00352 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 2/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DCTPP1 Q9H773 1/20 0.31
GPR35 Q9HC97 2/20 0.30
MCL1 Q07820 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
SCHEMBL8873357 0.82 GRIN2D (0.45) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL8874064 0.77 FLT3 (0.31) GPR35
SCHEMBL8872768 0.77 GRIN2D (0.33) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL8872587 0.77 TSHR (0.46) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL8873048 0.74 GRIN2D (0.38) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL8873103 0.71 GRIN2D (0.41) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL8873162 0.70 GRIN2D (0.35) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL8871568 0.68 GRIN2D (0.40) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL7788794 0.66 GPR35 (0.57) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL30692367 0.66 GPR35 (0.57) MEN1KMT2AGRIN2DGRIN3BGRIN1

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